1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea

C20H21N3O3 — CID 108876474

IUPAC1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(24)16-7-9-17(10-8-16)21-20(26)22-18-11-19(25)23(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H2,21,22,26)
InChIKeyZDXSEGFHUDSIPM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea

1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea (PubChem CID 108876474) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
PubChem CID108876474
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(24)16-7-9-17(10-8-16)21-20(26)22-18-11-19(25)23(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H2,21,22,26)
InChIKeyZDXSEGFHUDSIPM-UHFFFAOYSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875746
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea (CID 108876474) is 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea is CC(=O)c1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea?
The InChIKey is ZDXSEGFHUDSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)16-7-9-17(10-8-16)21-20(26)22-18-11-19(25)23(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H2,21,22,26).
What are the key properties of 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea?
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea has a molecular weight of 351.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 108876474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).