Chemical ID: 4482395

CC1CCCCC1NC(=O)C(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
4482395
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(2-methylcyclohexyl)-oxamide
SMILES [?]:
CC1CCCCC1NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H22N2O4/c1-11-4-2-3-5-13(11)19-17(21)16(20)18-9-12-6-7-14-15(8-12)23-10-22-14/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,20,14,22,2,15,7,18,19,11,9,13,8,12,10,23,21/rA:23cCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.0689
Area:532.065
Solvation:-3.23272
Coulombic:-64.3378
Bond Count [?]
All:25
Single:20
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.368
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.48
LogP (Chemaxon):1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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