Chemical ID: 6011530

CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4ccccc4
Chemical ID:
6011530
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4ccccc4
InChi [?]:
InChI=1/C30H33N3O3/c1-3-18-33(30(35)23-11-5-4-6-12-23)22-29(34)32(21-25-13-7-10-16-28(25)36-2)19-17-24-20-31-27-15-9-8-14-26(24)27/h4-16,20,31H,3,17-19,21-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,34,33,35,23,17,18,24,32,36,22,16,19,25,10,3,9,12,20,5,31,11,21,15,14,26,6,29,13,8,4,7,30,27/E:(5,6)(11,12)/rA:36nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCC/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;s26;s27;s4;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H33N3O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.0394
Area:720.282
Solvation:-4.96766
Coulombic:-55.2579
Bond Count [?]
All:39
Single:27
Double:12
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:483.601
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.23
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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