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Chemical ID: 7475997

CCc1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

Chemical ID:

7475997

Name [?]:

2-[2-(4-ethylphenoxy)acetyl]amino-N-phenethyl-benzamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C25H26N2O3/c1-2-19-12-14-21(15-13-19)30-18-24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,28,27,29,17,16,26,30,18,15,4,8,5,7,24,23,10,3,25,6,19,14,11,20,22,13,12,21,9/E:(4,5)(8,9)(12,13)(14,15)/rA:30nCCCCCCCCOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₃
All Atoms:	56
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.309
Area:	676.843
Solvation:	-4.61209
Coulombic:	-53.1948

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.486
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.28
LogP (Chemaxon):	5.32

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