Chemical ID: 5901179

CCCC(=O)NCC(=O)Nc1cccc(c1)C
Chemical ID:
5901179
Name [?]:
N-(m-tolylcarbamoylmethyl)butanamide
SMILES [?]:
CCCC(=O)NCC(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C13H18N2O2/c1-3-5-12(16)14-9-13(17)15-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,13,3,14,12,16,7,15,11,4,8,6,10,5,9/rA:17nCCCCONCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.59302
Area:452.934
Solvation:-2.73032
Coulombic:-41.3769
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.294
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.71
LogP (Chemaxon):1.79

Name Annotations

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Descriptor Annotations

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