Chemical ID: 6941070

CCCC(=O)NC(C)c1cc(ccc1OC)OC
Chemical ID:
6941070
Name [?]:
N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(C)c1cc(ccc1OC)OC
InChi [?]:
InChI=1/C14H21NO3/c1-5-6-14(16)15-10(2)12-9-11(17-3)7-8-13(12)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,18,16,2,3,12,13,10,7,11,9,14,4,6,5,17,15/rA:18cCCCCONCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s7;s9;d10;s11;d12;d9s13;s14;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:39
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.22784
Area:465.085
Solvation:-4.39929
Coulombic:-34.9118
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:2.6
LogP (Chemaxon):1.92

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Descriptor Annotations

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