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Chemical ID: 5578201

COc1ccc(cc1)CNC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3

Chemical ID:

5578201

Name [?]:

N-[1-[(4-methoxyphenyl)methylcarbamoyl]-2-phenyl-ethyl]benzamide

SMILES [?]:

COc1ccc(cc1)CNC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3

InChi [?]:

InChI=1/C24H24N2O3/c1-29-21-14-12-19(13-15-21)17-25-24(28)22(16-18-8-4-2-5-9-18)26-23(27)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,18,27,17,19,26,28,16,20,25,29,5,7,4,8,14,9,15,6,24,3,13,22,11,10,21,23,12,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29cCOCCCCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2283
Area:	624.588
Solvation:	-4.38636
Coulombic:	-53.8058

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	388.459
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.19
LogP (Chemaxon):	3.61

Name Annotations

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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