Chemical ID: 6016798

CC(CC(=O)N(CCOC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)CC(C)(C)C
Chemical ID:
6016798
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-(2-methoxyethyl)-3,5,5-trimethyl-hexanamide
SMILES [?]:
CC(CC(=O)N(CCOC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)CC(C)(C)C
InChi [?]:
InChI=1/C27H38N2O6/c1-20(15-27(2,3)4)13-25(30)28(10-12-32-5)18-26(31)29(17-22-7-6-11-33-22)16-21-8-9-23-24(14-21)35-19-34-23/h6-9,11,14,20H,10,12-13,15-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,34,35,10,28,27,17,18,7,29,8,3,21,31,15,25,11,23,2,16,26,19,20,4,12,32,6,14,5,13,9,30,24,22/E:(2,3,4)/rA:35cCCCCONCCOCCCONCCCCCCCOCOCCCCCOCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s14;s25;d26;s27;d28;s26s29;s2;s31;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H38N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.1742
Area:750.262
Solvation:-7.58235
Coulombic:-63.6354
Bond Count [?]
All:37
Single:30
Double:7
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:486.6
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.43
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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