2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride

C16H27ClN2O — CID 119330280

IUPAC2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18(4)13(3)11-14-9-7-12(2)8-10-14;/h7-10,13,15H,5-6,11,17H2,1-4H3;1H
InChIKeyOSDCZUNPWGCUTJ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride

2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride (PubChem CID 119330280) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride
PubChem CID119330280
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)Cc1ccc(C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18(4)13(3)11-14-9-7-12(2)8-10-14;/h7-10,13,15H,5-6,11,17H2,1-4H3;1H
InChIKeyOSDCZUNPWGCUTJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 74694907
(2S)-2-amino-N-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 40543883
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride (CID 119330280) is 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride is CCCC(N)C(=O)N(C)C(C)Cc1ccc(C)cc1.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride?
The InChIKey is OSDCZUNPWGCUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18(4)13(3)11-14-9-7-12(2)8-10-14;/h7-10,13,15H,5-6,11,17H2,1-4H3;1H.
What are the key properties of 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride?
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119330280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).