4-(methylamino)-N-phenylbutanamide;hydrochloride

C11H17ClN2O — CID 75493451

IUPAC4-(methylamino)-N-phenylbutanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-12-9-5-8-11(14)13-10-6-3-2-4-7-10;/h2-4,6-7,12H,5,8-9H2,1H3,(H,13,14);1H
InChIKeyLLFRZIGXQBHWNF-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.05
Rot. Bonds5

About 4-(methylamino)-N-phenylbutanamide;hydrochloride

4-(methylamino)-N-phenylbutanamide;hydrochloride (PubChem CID 75493451) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-(methylamino)-N-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-phenylbutanamide;hydrochloride
PubChem CID75493451
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-(methylamino)-N-phenylbutanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-12-9-5-8-11(14)13-10-6-3-2-4-7-10;/h2-4,6-7,12H,5,8-9H2,1H3,(H,13,14);1H
InChIKeyLLFRZIGXQBHWNF-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.05
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

4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
N-(3-ethylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119787006

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-phenylbutanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-phenylbutanamide;hydrochloride (CID 75493451) is 4-(methylamino)-N-phenylbutanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-phenylbutanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-phenylbutanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1.Cl.
What is the InChIKey of 4-(methylamino)-N-phenylbutanamide;hydrochloride?
The InChIKey is LLFRZIGXQBHWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-12-9-5-8-11(14)13-10-6-3-2-4-7-10;/h2-4,6-7,12H,5,8-9H2,1H3,(H,13,14);1H.
What are the key properties of 4-(methylamino)-N-phenylbutanamide;hydrochloride?
4-(methylamino)-N-phenylbutanamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-phenylbutanamide;hydrochloride is sourced from PubChem (CID 75493451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).