(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one

C20H23NO3 — CID 15946376

IUPAC(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
SMILESCOc1ccc([C@@H]2OC(=O)[C@@H](N[C@@H](C)c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C20H23NO3/c1-13-18(21-14(2)15-7-5-4-6-8-15)20(22)24-19(13)16-9-11-17(23-3)12-10-16/h4-14,18-19,21H,1-3H3/t13-,14+,18+,19-/m1/s1
InChIKeyBFIAXAXZHCCABK-SPLQCWDRSA-N
MW325.41 g/mol
LogP3.65
Rot. Bonds5

About (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one

(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one (PubChem CID 15946376) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
PubChem CID15946376
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
SMILESCOc1ccc([C@@H]2OC(=O)[C@@H](N[C@@H](C)c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C20H23NO3/c1-13-18(21-14(2)15-7-5-4-6-8-15)20(22)24-19(13)16-9-11-17(23-3)12-10-16/h4-14,18-19,21H,1-3H3/t13-,14+,18+,19-/m1/s1
InChIKeyBFIAXAXZHCCABK-SPLQCWDRSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one with MolForge

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Related Compounds

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4-methoxy-N-(1-phenylethyl)benzenesulfonamide
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CID 103562144
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
(4S,5S)-5-(4-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402507
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide
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2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one (CID 15946376) is (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one is COc1ccc([C@@H]2OC(=O)[C@@H](N[C@@H](C)c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The InChIKey is BFIAXAXZHCCABK-SPLQCWDRSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-18(21-14(2)15-7-5-4-6-8-15)20(22)24-19(13)16-9-11-17(23-3)12-10-16/h4-14,18-19,21H,1-3H3/t13-,14+,18+,19-/m1/s1.
What are the key properties of (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one is sourced from PubChem (CID 15946376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).