4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

C24H28N2O5 — CID 92613871

IUPAC4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-29-20-7-3-17(4-8-20)24(11-13-31-14-12-24)23(28)25-18-15-22(27)26(16-18)19-5-9-21(30-2)10-6-19/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyLUICVQARUYAJNO-SFHVURJKSA-N
MW424.50 g/mol
LogP2.67
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 92613871) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID92613871
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-29-20-7-3-17(4-8-20)24(11-13-31-14-12-24)23(28)25-18-15-22(27)26(16-18)19-5-9-21(30-2)10-6-19/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyLUICVQARUYAJNO-SFHVURJKSA-N
XLogP2.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 7215355
(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7244149
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (CID 92613871) is 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is COc1ccc(N2C[C@@H](NC(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is LUICVQARUYAJNO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-20-7-3-17(4-8-20)24(11-13-31-14-12-24)23(28)25-18-15-22(27)26(16-18)19-5-9-21(30-2)10-6-19/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 92613871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).