Chemical ID: 6012958

CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)C(C)C
Chemical ID:
6012958
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-2-methyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)C(C)C
InChi [?]:
InChI=1/C27H35N3O2/c1-5-15-30(27(32)20(2)3)19-26(31)29(18-22-12-10-21(4)11-13-22)16-14-23-17-28-25-9-7-6-8-24(23)25/h6-13,17,20,28H,5,14-16,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,32,27,2,17,18,16,19,23,25,22,26,10,3,9,12,20,5,30,24,21,11,15,14,6,28,13,8,4,7,29/E:(2,3)(10,11)(12,13)/rA:32nCCCNCCONCCCCNCCCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s24;s4;d28;s28;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H35N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.947
Area:693.257
Solvation:-4.38447
Coulombic:-45.1305
Bond Count [?]
All:34
Single:25
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:433.586
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.58
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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