4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride

C15H22ClN3O2 — CID 119692821

IUPAC4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-9-3-7-14(19)17-12-5-2-6-13(11-12)18-10-4-8-15(18)20;/h2,5-6,11,16H,3-4,7-10H2,1H3,(H,17,19);1H
InChIKeyKVVCWPYRTDAXPI-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.17
Rot. Bonds6

About 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride (PubChem CID 119692821) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
PubChem CID119692821
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-9-3-7-14(19)17-12-5-2-6-13(11-12)18-10-4-8-15(18)20;/h2,5-6,11,16H,3-4,7-10H2,1H3,(H,17,19);1H
InChIKeyKVVCWPYRTDAXPI-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.17
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

2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17423799
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24644663
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
N-[3-(2-oxopiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806485

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride (CID 119692821) is 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1cccc(N2CCCC2=O)c1.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride?
The InChIKey is KVVCWPYRTDAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-16-9-3-7-14(19)17-12-5-2-6-13(11-12)18-10-4-8-15(18)20;/h2,5-6,11,16H,3-4,7-10H2,1H3,(H,17,19);1H.
What are the key properties of 4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.17, 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-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).