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1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

C16H21N3O3 — CID 94819026

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N3O3/c1-11(15(21)19-8-3-4-9-19)17-16(22)18-14-7-5-6-13(10-14)12(2)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,17,18,22)/t11-/m1/s1
InChIKeyFYXHEZMSUHXNAQ-LLVKDONJSA-N
MW303.36 g/mol
LogP2.02
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (PubChem CID 94819026) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
PubChem CID94819026
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N3O3/c1-11(15(21)19-8-3-4-9-19)17-16(22)18-14-7-5-6-13(10-14)12(2)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,17,18,22)/t11-/m1/s1
InChIKeyFYXHEZMSUHXNAQ-LLVKDONJSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (CID 94819026) is 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is CC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N2CCCC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The InChIKey is FYXHEZMSUHXNAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(15(21)19-8-3-4-9-19)17-16(22)18-14-7-5-6-13(10-14)12(2)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,17,18,22)/t11-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea has a molecular weight of 303.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94819026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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