Chemical ID: 4210592

CCC(=O)Nc1cccc(c1)NC(=O)CC(C)C
Chemical ID:
4210592
Name [?]:
3-methyl-N-(3-propanoylaminophenyl)-butanamide
SMILES [?]:
CCC(=O)Nc1cccc(c1)NC(=O)CC(C)C
InChi [?]:
InChI=1/C14H20N2O2/c1-4-13(17)15-11-6-5-7-12(9-11)16-14(18)8-10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,8,7,9,15,11,16,6,10,3,13,5,12,4,14/E:(2,3)/rA:18nCCCONCCCCCCNCOCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.44277
Area:460.018
Solvation:-3.05768
Coulombic:-39.5521
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:248.321
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):2.68

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Descriptor Annotations

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