Chemical ID: 5874127

Cc1cccc(c1)NC(=O)N(CCC(=O)NCc2ccccc2)C(C)c3ccccc3
Chemical ID:
5874127
Name [?]:
N-benzyl-3-(m-tolylcarbamoyl-(1-phenylethyl)amino)-propanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N(CCC(=O)NCc2ccccc2)C(C)c3ccccc3
InChi [?]:
InChI=1/C26H29N3O2/c1-20-10-9-15-24(18-20)28-26(31)29(21(2)23-13-7-4-8-14-23)17-16-25(30)27-19-22-11-5-3-6-12-22/h3-15,18,21H,16-17,19H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,25,21,29,20,22,28,30,4,3,19,23,27,31,5,13,12,7,17,2,24,18,26,6,14,9,16,8,11,15,10/E:(5,6)(7,8)(11,12)(13,14)/rA:31cCCCCCCCNCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;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:13.8012
Area:690.84
Solvation:-3.46977
Coulombic:-54.2949
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:4.77
LogP (Chemaxon):5.13

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Descriptor Annotations

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