Chemical ID: 6011282

CCC(=O)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(C)C
Chemical ID:
6011282
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CCC(=O)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H31N3O2/c1-4-24(29)28(19(2)3)18-25(30)27(17-20-10-6-5-7-11-20)15-14-21-16-26-23-13-9-8-12-22(21)23/h5-13,16,19,26H,4,14-15,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,25,24,26,18,19,23,27,17,20,11,10,13,21,6,28,22,12,16,15,3,7,14,9,5,4,8/E:(2,3)(6,7)(10,11)/rA:30nCCCONCCONCCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s5;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9668
Area:646.238
Solvation:-4.18915
Coulombic:-44.869
Bond Count [?]
All:32
Single:23
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:405.533
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.22

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Descriptor Annotations

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