Chemical ID: 4154936

CCCC(=O)Nc1ccc(cc1)OC(C)C
Chemical ID:
4154936
Name [?]:
N-(4-isopropoxyphenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)OC(C)C
InChi [?]:
InChI=1/C13H19NO2/c1-4-5-13(15)14-11-6-8-12(9-7-11)16-10(2)3/h6-10H,4-5H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,3,8,12,9,11,14,7,10,4,6,5,13/E:(2,3)(6,7)(8,9)/rA:16nCCCCONCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.96501
Area:429.18
Solvation:-2.76449
Coulombic:-27.9025
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.9
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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