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

C16H27ClN2O — CID 119272781

IUPAC2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCCCCc1ccc(C(NC(=O)CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)18-15(19)11-17;/h7-10,12,16H,4-6,11,17H2,1-3H3,(H,18,19);1H
InChIKeyIMKWAHXKHNJPIC-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.22
Rot. Bonds7

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

2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119272781) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119272781
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCCCCc1ccc(C(NC(=O)CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)18-15(19)11-17;/h7-10,12,16H,4-6,11,17H2,1-3H3,(H,18,19);1H
InChIKeyIMKWAHXKHNJPIC-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55543313
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
2-(4-butylphenyl)propanamide
CID 90926449
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
methyl N-[(2S)-2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 8998518

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119272781) is 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride is CCCCc1ccc(C(NC(=O)CN)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is IMKWAHXKHNJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)18-15(19)11-17;/h7-10,12,16H,4-6,11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride?
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.22, 7 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-butylphenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119272781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).