Chemical ID: 6935594

CCC(C)(C)C(=O)Nc1cccc(c1)OC
Chemical ID:
6935594
Name [?]:
N-(3-methoxyphenyl)-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)Nc1cccc(c1)OC
InChi [?]:
InChI=1/C13H19NO2/c1-5-13(2,3)12(15)14-10-7-6-8-11(9-10)16-4/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,16,2,11,10,12,14,9,13,6,3,8,7,15/E:(2,3)/rA:16nCCCCCCONCCCCCCOC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:35
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.20884
Area:413.202
Solvation:-3.1212
Coulombic:-28.4539
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.51
LogP (Chemaxon):3.37

Name Annotations

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Descriptor Annotations

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