2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride

C16H27ClN2O — CID 119272761

IUPAC2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCCC(C)c1ccc(C(NC(=O)CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-12(4)13-6-8-14(9-7-13)16(11(2)3)18-15(19)10-17;/h6-9,11-12,16H,5,10,17H2,1-4H3,(H,18,19);1H
InChIKeyZPLQYKZGQDTLEG-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.39
Rot. Bonds6

About 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride

2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119272761) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119272761
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCCC(C)c1ccc(C(NC(=O)CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-12(4)13-6-8-14(9-7-13)16(11(2)3)18-15(19)10-17;/h6-9,11-12,16H,5,10,17H2,1-4H3,(H,18,19);1H
InChIKeyZPLQYKZGQDTLEG-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51937630
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
CID 25469814
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119272761) is 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride is CCC(C)c1ccc(C(NC(=O)CN)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is ZPLQYKZGQDTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-12(4)13-6-8-14(9-7-13)16(11(2)3)18-15(19)10-17;/h6-9,11-12,16H,5,10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride?
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119272761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).