(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C21H26N2O2 — CID 770236

IUPAC(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/t20-/m0/s1
InChIKeyNXWDRCSAJKTXSY-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 770236) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID770236
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/t20-/m0/s1
InChIKeyNXWDRCSAJKTXSY-FQEVSTJZSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 7419139
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330
(2S)-1-(4-benzylpiperazin-1-yl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-phenylpropan-1-one
CID 59808312
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one
CID 75237895
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 770236) is (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NXWDRCSAJKTXSY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 770236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).