Chemical ID: 6934743

CC(C)(C)CC(=O)NCc1ccccc1OC
Chemical ID:
6934743
Name [?]:
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)NCc1ccccc1OC
InChi [?]:
InChI=1/C14H21NO2/c1-14(2,3)9-13(16)15-10-11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,12,13,11,14,5,9,10,15,6,2,8,7,16/E:(1,2,3)/rA:17nCCCCCCONCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:38
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.96673
Area:438.057
Solvation:-2.98471
Coulombic:-29.2297
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):2.53

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Descriptor Annotations

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