2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride

C16H27ClN2O — CID 119399942

IUPAC2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-11-16(5,17)14(19)18-13-10-8-7-9-12(13)15(2,3)4;/h7-10H,6,11,17H2,1-5H3,(H,18,19);1H
InChIKeyCSCAEPMMWWSMLN-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.86
Rot. Bonds4

About 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119399942) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
PubChem CID119399942
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-11-16(5,17)14(19)18-13-10-8-7-9-12(13)15(2,3)4;/h7-10H,6,11,17H2,1-5H3,(H,18,19);1H
InChIKeyCSCAEPMMWWSMLN-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride (CID 119399942) is 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccccc1C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is CSCAEPMMWWSMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-6-11-16(5,17)14(19)18-13-10-8-7-9-12(13)15(2,3)4;/h7-10H,6,11,17H2,1-5H3,(H,18,19);1H.
What are the key properties of 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119399942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).