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Chemical ID: 6884276

c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

6884276

Name [?]:

N-phenethyl-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C29H26N2O4/c32-28(31-24-13-17-27(18-14-24)35-26-9-5-2-6-10-26)21-34-25-15-11-23(12-16-25)29(33)30-20-19-22-7-3-1-4-8-22/h1-18H,19-21H2,(H,30,33)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,33,2,6,32,34,3,5,31,35,13,17,24,28,14,16,25,27,7,8,19,4,12,23,15,30,26,20,10,9,22,21,11,18,29/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCCCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₂O₄
All Atoms:	61
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7813
Area:	758.988
Solvation:	-6.1934
Coulombic:	-60.1583

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.528
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.43
LogP (Chemaxon):	5.23

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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