(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one

C18H19NO3 — CID 15356108

IUPAC(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)C[C@@]2(OC)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-21-15-10-8-13(9-11-15)17-18(22-2,12-16(20)19-17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-,18+/m0/s1
InChIKeyAPOZTFMLCWNCTD-ZWKOTPCHSA-N
MW297.35 g/mol
LogP2.80
Rot. Bonds4

About (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one

(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one (PubChem CID 15356108) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
PubChem CID15356108
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)C[C@@]2(OC)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-21-15-10-8-13(9-11-15)17-18(22-2,12-16(20)19-17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-,18+/m0/s1
InChIKeyAPOZTFMLCWNCTD-ZWKOTPCHSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one
CID 103466411
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 172643187
2-(4-methoxyphenyl)-3-methyl-5-phenylimidazolidin-4-one
CID 14584879
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
9-(4-methoxyphenyl)-6-(4-phenylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17064996

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one (CID 15356108) is (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one is COc1ccc([C@@H]2NC(=O)C[C@@]2(OC)c2ccccc2)cc1.
What is the InChIKey of (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one?
The InChIKey is APOZTFMLCWNCTD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-15-10-8-13(9-11-15)17-18(22-2,12-16(20)19-17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-,18+/m0/s1.
What are the key properties of (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one?
(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 15356108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).