4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride

C16H27ClN2O — CID 119765445

IUPAC4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(18-15(19)11-8-12-17-4)16(2,3)14-9-6-5-7-10-14;/h5-7,9-10,13,17H,8,11-12H2,1-4H3,(H,18,19);1H
InChIKeyNSUVNGWJVSOXKD-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.89
Rot. Bonds7

About 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride

4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride (PubChem CID 119765445) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
PubChem CID119765445
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(18-15(19)11-8-12-17-4)16(2,3)14-9-6-5-7-10-14;/h5-7,9-10,13,17H,8,11-12H2,1-4H3,(H,18,19);1H
InChIKeyNSUVNGWJVSOXKD-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 119804040
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride (CID 119765445) is 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride is CNCCCC(=O)NC(C)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride?
The InChIKey is NSUVNGWJVSOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13(18-15(19)11-8-12-17-4)16(2,3)14-9-6-5-7-10-14;/h5-7,9-10,13,17H,8,11-12H2,1-4H3,(H,18,19);1H.
What are the key properties of 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride?
4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119765445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).