Chemical ID: 5900511

c1ccc(cc1)CC(C(=O)NCc2ccccc2)NC(=O)CCCCCN
Chemical ID:
5900511
Name [?]:
6-amino-N-[1-(benzylcarbamoyl)-2-phenyl-ethyl]-hexanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)NCc2ccccc2)NC(=O)CCCCCN
InChi [?]:
InChI=1/C22H29N3O2/c23-15-9-3-8-14-21(26)25-20(16-18-10-4-1-5-11-18)22(27)24-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17,23H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,16,24,2,6,15,17,23,25,3,5,14,18,22,26,7,12,4,13,8,20,9,27,11,19,21,10/E:(4,5)(6,7)(10,11)(12,13)/rA:27cCCCCCCCCCONCCCCCCCNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s8;s19;d20;s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.2433
Area:630.307
Solvation:-3.51441
Coulombic:-56.7464
Bond Count [?]
All:28
Single:20
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:367.485
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:2.69
LogP (Chemaxon):2.35

Name Annotations

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Descriptor Annotations

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