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Chemical ID: 5874131

Cc1ccccc1NC(=O)N(CCC(=O)NCc2ccccc2)C(C)c3ccccc3

Chemical ID:

5874131

Name [?]:

N-benzyl-3-(o-tolylcarbamoyl-(1-phenylethyl)amino)-propanamide

SMILES [?]:

Cc1ccccc1NC(=O)N(CCC(=O)NCc2ccccc2)C(C)c3ccccc3

InChi [?]:

InChI=1/C26H29N3O2/c1-20-11-9-10-16-24(20)28-26(31)29(21(2)23-14-7-4-8-15-23)18-17-25(30)27-19-22-12-5-3-6-13-22/h3-16,21H,17-19H2,1-2H3,(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,25,21,29,20,22,28,30,4,5,3,19,23,27,31,6,13,12,17,2,24,18,26,7,14,9,16,8,11,15,10/E:(5,6)(7,8)(12,13)(14,15)/rA:31cCCCCCCCNCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5376
Area:	677.505
Solvation:	-3.40004
Coulombic:	-54.4913

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	415.527
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.56
LogP (Chemaxon):	4.48

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