4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride

C16H27ClN2O — CID 119429836

IUPAC4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
SMILESCNCCCNC(=O)CC(c1ccccc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)15(14-8-5-4-6-9-14)12-16(19)18-11-7-10-17-3;/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19);1H
InChIKeyBIPLDFNYMKOKKI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.96
Rot. Bonds8

About 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride

4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride (PubChem CID 119429836) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
PubChem CID119429836
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
SMILESCNCCCNC(=O)CC(c1ccccc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)15(14-8-5-4-6-9-14)12-16(19)18-11-7-10-17-3;/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19);1H
InChIKeyBIPLDFNYMKOKKI-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.96
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

N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
CID 86972858
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
4-methyl-3-phenylpentanoic acid
CID 3249521
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119430585
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride?
The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride (CID 119429836) is 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride is CNCCCNC(=O)CC(c1ccccc1)C(C)C.Cl.
What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride?
The InChIKey is BIPLDFNYMKOKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13(2)15(14-8-5-4-6-9-14)12-16(19)18-11-7-10-17-3;/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride?
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride is sourced from PubChem (CID 119429836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).