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

C16H24ClN3O2 — CID 119702385

IUPAC4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-17-10-4-5-15(20)18-14-8-6-13(7-9-14)16(21)19-11-2-3-12-19;/h6-9,17H,2-5,10-12H2,1H3,(H,18,20);1H
InChIKeyXCDINNCPZHJDDX-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.28
Rot. Bonds6

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

4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 119702385) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID119702385
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-17-10-4-5-15(20)18-14-8-6-13(7-9-14)16(21)19-11-2-3-12-19;/h6-9,17H,2-5,10-12H2,1H3,(H,18,20);1H
InChIKeyXCDINNCPZHJDDX-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.28
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

4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 134034714
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119715797

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (CID 119702385) is 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is XCDINNCPZHJDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-17-10-4-5-15(20)18-14-8-6-13(7-9-14)16(21)19-11-2-3-12-19;/h6-9,17H,2-5,10-12H2,1H3,(H,18,20);1H.
What are the key properties of 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119702385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).