Chemical ID: 6443734

CCC(=O)Nc1cc(ccc1C)N
Chemical ID:
6443734
Name [?]:
N-(5-amino-2-methyl-phenyl)propanamide
SMILES [?]:
CCC(=O)Nc1cc(ccc1C)N
InChi [?]:
InChI=1/C10H14N2O/c1-3-10(13)12-9-6-8(11)5-4-7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,2,10,9,7,11,8,6,3,13,5,4/rA:13nCCCONCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.8902
Area:355.84
Solvation:-2.0058
Coulombic:-36.0739
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.231
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.94
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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