1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one

C18H20N2O — CID 43232057

IUPAC1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1cccc(CNc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O/c1-14-4-2-5-15(12-14)13-19-16-7-9-17(10-8-16)20-11-3-6-18(20)21/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3
InChIKeySKAQUPLGLYFDGF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one

1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 43232057) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID43232057
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1cccc(CNc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O/c1-14-4-2-5-15(12-14)13-19-16-7-9-17(10-8-16)20-11-3-6-18(20)21/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3
InChIKeySKAQUPLGLYFDGF-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 39380681
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CID 38295305
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide
CID 174456306
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
3-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8597782
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one (CID 43232057) is 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one is Cc1cccc(CNc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is SKAQUPLGLYFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-4-2-5-15(12-14)13-19-16-7-9-17(10-8-16)20-11-3-6-18(20)21/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3.
What are the key properties of 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43232057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).