1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

C20H23N3O3 — CID 7215297

IUPAC1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc(N2C[C@@H](NC(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)22-20(25)21-12-11-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyIHOSCIPEZGNMNC-INIZCTEOSA-N
MW353.42 g/mol
LogP2.34
Rot. Bonds6

About 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (PubChem CID 7215297) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
PubChem CID7215297
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc(N2C[C@@H](NC(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)22-20(25)21-12-11-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyIHOSCIPEZGNMNC-INIZCTEOSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
1-[2-[benzyl(methyl)amino]ethyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545497
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
1-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenylethyl)urea
CID 40912903
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
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
CID 7544981
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 16801428
1-[3-(dimethylamino)propyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545082
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544271

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (CID 7215297) is 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is COc1ccc(N2C[C@@H](NC(=O)NCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The InChIKey is IHOSCIPEZGNMNC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)22-20(25)21-12-11-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H2,21,22,25)/t16-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea has a molecular weight of 353.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 7215297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).