4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride

C17H26ClN3O2 — CID 119715797

IUPAC4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(C)c1C(=O)N1CCCC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13-7-5-8-14(19-15(21)9-6-10-18-2)16(13)17(22)20-11-3-4-12-20;/h5,7-8,18H,3-4,6,9-12H2,1-2H3,(H,19,21);1H
InChIKeyUHYNPUHHTCFFIT-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.59
Rot. Bonds6

About 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 119715797) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID119715797
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(C)c1C(=O)N1CCCC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13-7-5-8-14(19-15(21)9-6-10-18-2)16(13)17(22)20-11-3-4-12-20;/h5,7-8,18H,3-4,6,9-12H2,1-2H3,(H,19,21);1H
InChIKeyUHYNPUHHTCFFIT-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
2-(2-ethoxyphenoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55715273
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (CID 119715797) is 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1cccc(C)c1C(=O)N1CCCC1.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is UHYNPUHHTCFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-13-7-5-8-14(19-15(21)9-6-10-18-2)16(13)17(22)20-11-3-4-12-20;/h5,7-8,18H,3-4,6,9-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119715797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).