Chemical ID: 4331176

Cc1ccc(c(c1)C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
4331176
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H18N2O4/c1-11-3-5-14(12(2)7-11)20-18(22)17(21)19-9-13-4-6-15-16(8-13)24-10-23-15/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,4,18,7,21,15,23,2,6,16,5,19,20,12,10,14,9,13,11,24,22/rA:24nCCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.156
Area:549.247
Solvation:-3.57517
Coulombic:-63.4092
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.347
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.59
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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