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

C19H22N2O — CID 78820714

IUPAC1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c22-19-9-5-15-21(19)18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2
InChIKeyJAGZEDTZFWZWSB-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.86
Rot. Bonds6

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

1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one (PubChem CID 78820714) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one
PubChem CID78820714
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c22-19-9-5-15-21(19)18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2
InChIKeyJAGZEDTZFWZWSB-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111198560
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one (CID 78820714) is 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCCCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one?
The InChIKey is JAGZEDTZFWZWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19-9-5-15-21(19)18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2.
What are the key properties of 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one?
1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 78820714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).