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

C16H21N3O3 — CID 94819026

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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Related Compounds

1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94817434
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
1-(3-bromophenyl)-3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)urea
CID 42698489
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7583965
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443

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).