Chemical ID: 6011404

CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)CC
Chemical ID:
6011404
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-butyl-propanamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)CC
InChi [?]:
InChI=1/C26H33N3O2/c1-3-5-16-28(25(30)4-2)20-26(31)29(19-21-11-7-6-8-12-21)17-15-22-18-27-24-14-10-9-13-23(22)24/h6-14,18,27H,3-5,15-17,19-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,30,3,25,24,26,18,19,23,27,17,20,11,4,10,13,21,6,22,12,16,15,28,7,14,5,9,29,8/E:(7,8)(11,12)/rA:31nCCCCNCCONCCCCNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s5;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.2994
Area:696.502
Solvation:-4.11312
Coulombic:-45.6332
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:419.559
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):4.67

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Descriptor Annotations

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