Chemical ID: 6471170

CCOc1ccc(cc1)NC(=O)C2CCC2
Chemical ID:
6471170
Name [?]:
N-(4-ethoxyphenyl)cyclobutanecarboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C2CCC2
InChi [?]:
InChI=1/C13H17NO2/c1-2-16-12-8-6-11(7-9-12)14-13(15)10-4-3-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,6,8,5,9,13,7,4,11,10,12,3/E:(4,5)(6,7)(8,9)/rA:16nCCOCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s13s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.49372
Area:414.51
Solvation:-2.86904
Coulombic:-27.8293
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):2.54

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