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Chemical ID: 4482395
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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