1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one

C20H24N2O2 — CID 11381752

IUPAC1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c23-20-7-4-13-22(20)14-12-21-15-17-8-10-19(11-9-17)24-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-16H2
InChIKeyLDCBZIQDPFUVFE-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds8

About 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one

1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 11381752) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID11381752
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c23-20-7-4-13-22(20)14-12-21-15-17-8-10-19(11-9-17)24-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-16H2
InChIKeyLDCBZIQDPFUVFE-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 11303543
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
2-methyl-N'-[1-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethylamino]-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanediamide
CID 18464286
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one (CID 11381752) is 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is LDCBZIQDPFUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20-7-4-13-22(20)14-12-21-15-17-8-10-19(11-9-17)24-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-16H2.
What are the key properties of 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 11381752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).