Chemical ID: 4201060

CCC(CC)C(=O)Nc1cc(cc(c1)OC)OC
Chemical ID:
4201060
Name [?]:
N-(3,5-dimethoxyphenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C14H21NO3/c1-5-10(6-2)14(16)15-11-7-12(17-3)9-13(8-11)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,16,18,2,4,14,10,12,3,9,13,11,6,8,7,15,17/E:(1,2)(3,4)(5,6)(7,8)(12,13)(17,18)/rA:18nCCCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.024
Area:453.453
Solvation:-4.31233
Coulombic:-34.397
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.85

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Descriptor Annotations

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