Chemical ID: 5913883

CCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC
Chemical ID:
5913883
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C31H43N3O4/c1-4-5-6-7-13-30(35)33(19-10-21-37-2)24-31(36)34(23-25-14-16-27(38-3)17-15-25)20-18-26-22-32-29-12-9-8-11-28(26)29/h8-9,11-12,14-17,22,32H,4-7,10,13,18-21,23-24H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,38,2,3,4,5,27,28,11,26,29,6,32,36,33,35,20,10,19,12,22,30,15,31,21,34,25,24,7,16,23,9,18,8,17,13,37/E:(14,15)(16,17)/rA:38nCCCCCCCONCCCOCCCONCCCCNCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s9;s15;d16;s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s18;s30;s31;d32;s33;d34;d31s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H43N3O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.9706
Area:857.277
Solvation:-7.4613
Coulombic:-59.4096
Bond Count [?]
All:40
Single:31
Double:9
Rotors:19
Chiral:0
Rigid Segments:13
Chemical Properties
Molecular Weight:521.691
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.43
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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