(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one

C18H25NO2 — CID 15458698

IUPAC(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](CC2CCCCC2)N1
InChIInChI=1S/C18H25NO2/c20-18-12-17(21-13-15-9-5-2-6-10-15)16(19-18)11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-17H,1,3-4,7-8,11-13H2,(H,19,20)/t16-,17+/m1/s1
InChIKeyPHCXPTBIMHMOKZ-SJORKVTESA-N
MW287.40 g/mol
LogP3.43
Rot. Bonds5

About (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one (PubChem CID 15458698) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one
PubChem CID15458698
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](CC2CCCCC2)N1
InChIInChI=1S/C18H25NO2/c20-18-12-17(21-13-15-9-5-2-6-10-15)16(19-18)11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-17H,1,3-4,7-8,11-13H2,(H,19,20)/t16-,17+/m1/s1
InChIKeyPHCXPTBIMHMOKZ-SJORKVTESA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
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CID 11844348
(R)-N-((R)-2-(benzyloxy)-1-cyanoethyl)-2-(cyclohexylmethyl)-4-morpholino-4-oxobutanamide
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5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl benzoate
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N-[(Benzyloxy)carbonyl]-O-Tert-Butyl-L-Threonyl-N-[(1r)-4-Cyclopropyl-4-Oxo-1-{[(3s)-2-Oxopyrrolidin-3-Yl]methyl}butyl]-L-Leucinamide
CID 49867917
benzyl N-[(1S,2S)-2-(tert-butoxy)-1-{[(1S)-2-cyclohexyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}ethyl]carbamoyl}propyl]carbamate
CID 91895789
benzyl N-[(3S,6R)-6-(cyclohexylmethyl)-2-[(2-methylpropan-2-yl)oxy]-4,7-dioxo-7-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]heptan-3-yl]carbamate
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(3S,7S,8S)-8-benzyl-7-hydroxy-3-[(1R)-1-phenylmethoxyethyl]-1,4,9-triazacyclohenicosane-2,5,10-trione
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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one (CID 15458698) is (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@@H](CC2CCCCC2)N1.
What is the InChIKey of (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is PHCXPTBIMHMOKZ-SJORKVTESA-N. The full InChI is InChI=1S/C18H25NO2/c20-18-12-17(21-13-15-9-5-2-6-10-15)16(19-18)11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-17H,1,3-4,7-8,11-13H2,(H,19,20)/t16-,17+/m1/s1.
What are the key properties of (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(cyclohexylmethyl)-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 15458698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).