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

C22H27N3O3 — CID 18564219

IUPAC1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea
SMILESCOc1cccc(N2CC(NC(=O)NC(C)CCc3ccccc3)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16(11-12-17-7-4-3-5-8-17)23-22(27)24-18-13-21(26)25(15-18)19-9-6-10-20(14-19)28-2/h3-10,14,16,18H,11-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyCVNMYSXCLPOWIA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.12
Rot. Bonds7

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

1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 18564219) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea
PubChem CID18564219
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea
SMILESCOc1cccc(N2CC(NC(=O)NC(C)CCc3ccccc3)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16(11-12-17-7-4-3-5-8-17)23-22(27)24-18-13-21(26)25(15-18)19-9-6-10-20(14-19)28-2/h3-10,14,16,18H,11-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyCVNMYSXCLPOWIA-UHFFFAOYSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 7552478
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969759
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
1-(3-methoxyphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513464
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544271
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564211
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215150

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea (CID 18564219) is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea is COc1cccc(N2CC(NC(=O)NC(C)CCc3ccccc3)CC2=O)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is CVNMYSXCLPOWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(11-12-17-7-4-3-5-8-17)23-22(27)24-18-13-21(26)25(15-18)19-9-6-10-20(14-19)28-2/h3-10,14,16,18H,11-13,15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea?
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 381.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 18564219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).