Chemical ID: 6016736

CCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(C)C
Chemical ID:
6016736
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-isopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(C)C
InChi [?]:
InChI=1/C24H32N2O5/c1-4-5-6-9-23(27)26(18(2)3)16-24(28)25(15-20-8-7-12-29-20)14-19-10-11-21-22(13-19)31-17-30-21/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,3,4,26,25,5,15,16,27,19,13,23,9,21,29,14,24,17,18,6,10,12,8,7,11,28,22,20/E:(2,3)/rA:31nCCCCCCONCCONCCCCCCCOCOCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s12;s23;d24;s25;d26;s24s27;s8;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.786
Area:670.762
Solvation:-5.98307
Coulombic:-55.8189
Bond Count [?]
All:33
Single:26
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.521
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.88
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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