1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea

C24H23N3O3 — CID 7513892

IUPAC1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
SMILESCc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-17-7-11-20(12-8-17)27-16-19(15-23(27)28)26-24(29)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,19H,15-16H2,1H3,(H2,25,26,29)/t19-/m0/s1
InChIKeyUBSNXIXRXCOKSK-IBGZPJMESA-N
MW401.47 g/mol
LogP4.71
Rot. Bonds5

About 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea

1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea (PubChem CID 7513892) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
PubChem CID7513892
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
SMILESCc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-17-7-11-20(12-8-17)27-16-19(15-23(27)28)26-24(29)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,19H,15-16H2,1H3,(H2,25,26,29)/t19-/m0/s1
InChIKeyUBSNXIXRXCOKSK-IBGZPJMESA-N
XLogP4.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea
CID 97199258
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 7513471
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7552490

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea (CID 7513892) is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea is Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1.
What is the InChIKey of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea?
The InChIKey is UBSNXIXRXCOKSK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-7-11-20(12-8-17)27-16-19(15-23(27)28)26-24(29)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,19H,15-16H2,1H3,(H2,25,26,29)/t19-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea?
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea has a molecular weight of 401.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 7513892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).