Chemical ID: 4213971

CCCNC(=O)C(=O)NCc1ccccc1
Chemical ID:
4213971
Name [?]:
N'-benzyl-N-propyl-oxamide
SMILES [?]:
CCCNC(=O)C(=O)NCc1ccccc1
InChi [?]:
InChI=1/C12H16N2O2/c1-2-8-13-11(15)12(16)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,3,10,11,5,7,4,9,6,8/E:(4,5)(6,7)/rA:16nCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.27717
Area:440.336
Solvation:-1.73123
Coulombic:-48.8955
Bond Count [?]
All:16
Single:11
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:220.268
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):1.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue