2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide

C16H26N2O — CID 62487543

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
SMILESCC(N(C)C(=O)C(C)(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(15(2,3)4)18(6)14(19)16(5,17)13-10-8-7-9-11-13/h7-12H,17H2,1-6H3
InChIKeyPNGLBTVDXFNZBL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds3

About 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide

2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide (PubChem CID 62487543) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
PubChem CID62487543
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
SMILESCC(N(C)C(=O)C(C)(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(15(2,3)4)18(6)14(19)16(5,17)13-10-8-7-9-11-13/h7-12H,17H2,1-6H3
InChIKeyPNGLBTVDXFNZBL-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
CID 112659179
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 120593249
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide (CID 62487543) is 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide is CC(N(C)C(=O)C(C)(N)c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide?
The InChIKey is PNGLBTVDXFNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(15(2,3)4)18(6)14(19)16(5,17)13-10-8-7-9-11-13/h7-12H,17H2,1-6H3.
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62487543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).