N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide

C16H25NO — CID 59836578

IUPACN-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)15(18)17(6)14-9-7-8-13(10-14)11-16(3,4)5/h7-10,12H,11H2,1-6H3
InChIKeyDCDFRUHJVVWHES-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.89
Rot. Bonds3

About N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide

N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 59836578) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
PubChem CID59836578
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)15(18)17(6)14-9-7-8-13(10-14)11-16(3,4)5/h7-10,12H,11H2,1-6H3
InChIKeyDCDFRUHJVVWHES-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide
CID 134419508
1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
CID 117316808
2-[3-[2-ethylbutanoyl(methyl)amino]phenyl]acetic acid
CID 28759868
3-[3-[carbamoyl(methyl)amino]phenyl]-2,2-dimethylpropanoic acid
CID 117379207
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297751
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide (CID 59836578) is N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is DCDFRUHJVVWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15(18)17(6)14-9-7-8-13(10-14)11-16(3,4)5/h7-10,12H,11H2,1-6H3.
What are the key properties of N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide?
N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 247.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 59836578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).