1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea

C19H21N3O3 — CID 134255085

IUPAC1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(C2CNC(=O)[C@@H]2NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-7-14(8-4-12)21-19(24)22-17-16(11-20-18(17)23)13-5-9-15(25-2)10-6-13/h3-10,16-17H,11H2,1-2H3,(H,20,23)(H2,21,22,24)/t16?,17-/m1/s1
InChIKeyLSEMUVOGQLSKAB-ZYMOGRSISA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds4

About 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea

1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea (PubChem CID 134255085) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
PubChem CID134255085
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(C2CNC(=O)[C@@H]2NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-7-14(8-4-12)21-19(24)22-17-16(11-20-18(17)23)13-5-9-15(25-2)10-6-13/h3-10,16-17H,11H2,1-2H3,(H,20,23)(H2,21,22,24)/t16?,17-/m1/s1
InChIKeyLSEMUVOGQLSKAB-ZYMOGRSISA-N
XLogP2.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122583121
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 122582962
1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea
CID 163994451
1-[(3R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 126669211
1-[(4S)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132943
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 122583171
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122583094
4-[[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]benzoic acid
CID 122583028
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methylthiophen-2-yl)-2-oxopyrrolidin-3-yl]urea
CID 122583025
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea
CID 43596662
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea (CID 134255085) is 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea is COc1ccc(C2CNC(=O)[C@@H]2NC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The InChIKey is LSEMUVOGQLSKAB-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-3-7-14(8-4-12)21-19(24)22-17-16(11-20-18(17)23)13-5-9-15(25-2)10-6-13/h3-10,16-17H,11H2,1-2H3,(H,20,23)(H2,21,22,24)/t16?,17-/m1/s1.
What are the key properties of 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea has a molecular weight of 339.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 134255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).