Chemical ID: 6005650

CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC)C(=O)CCC4CCCC4
Chemical ID:
6005650
Name [?]:
3-cyclopentyl-N-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C31H41N3O3/c1-23(2)34(30(35)17-14-24-8-4-5-9-24)22-31(36)33(21-25-12-15-27(37-3)16-13-25)19-18-26-20-32-29-11-7-6-10-28(26)29/h6-7,10-13,15-16,20,23-24,32H,4-5,8-9,14,17-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,35,36,17,18,34,37,16,19,22,26,32,23,25,31,10,9,12,20,5,2,33,21,11,24,15,14,29,6,13,8,4,30,7,27/E:(1,2)(4,5)(8,9)(12,13)(15,16)/rA:37nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s24;s27;s4;d29;s29;s31;s32;s33;s34;s35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H41N3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.2377
Area:784.355
Solvation:-5.37116
Coulombic:-52.3536
Bond Count [?]
All:40
Single:31
Double:9
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:503.676
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.31
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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