1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one

C19H22N2O — CID 100660181

IUPAC1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
SMILESCc1cccc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H22N2O/c1-14-5-3-6-16(13-14)15(2)20-17-8-10-18(11-9-17)21-12-4-7-19(21)22/h3,5-6,8-11,13,15,20H,4,7,12H2,1-2H3/t15-/m1/s1
InChIKeyZRVACGPFXYDEJH-OAHLLOKOSA-N
MW294.40 g/mol
LogP4.29
Rot. Bonds4

About 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one

1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one (PubChem CID 100660181) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
PubChem CID100660181
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
SMILESCc1cccc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H22N2O/c1-14-5-3-6-16(13-14)15(2)20-17-8-10-18(11-9-17)21-12-4-7-19(21)22/h3,5-6,8-11,13,15,20H,4,7,12H2,1-2H3/t15-/m1/s1
InChIKeyZRVACGPFXYDEJH-OAHLLOKOSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
CID 8967220
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[1-(2,4-dimethylphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 133215393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one (CID 100660181) is 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one is Cc1cccc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is ZRVACGPFXYDEJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-5-3-6-16(13-14)15(2)20-17-8-10-18(11-9-17)21-12-4-7-19(21)22/h3,5-6,8-11,13,15,20H,4,7,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one?
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 100660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).