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Chemical ID: 6883770

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4

Chemical ID:

6883770

Name [?]:

N-(4-butylphenyl)-4-(1-naphthylcarbamoylmethoxy)benzamide

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4

InChi [?]:

InChI=1/C29H28N2O3/c1-2-3-7-21-12-16-24(17-13-21)30-29(33)23-14-18-25(19-15-23)34-20-28(32)31-27-11-6-9-22-8-4-5-10-26(22)27/h4-6,8-19H,2-3,7,20H2,1H3,(H,30,33)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,2,3,33,32,27,4,34,28,31,26,6,10,15,19,7,9,16,18,21,5,29,14,8,17,30,25,22,12,11,24,23,13,20/E:(12,13)(14,15)(16,17)(18,19)/rA:34nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₈N₂O₃
All Atoms:	62
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1816
Area:	739.851
Solvation:	-5.31466
Coulombic:	-52.5163

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.544
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.95
LogP (Chemaxon):	6.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value