1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C15H21N3O4 — CID 18564055

IUPAC1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCC(CO)(CO)NC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O4/c1-15(9-19,10-20)17-14(22)16-11-7-13(21)18(8-11)12-5-3-2-4-6-12/h2-6,11,19-20H,7-10H2,1H3,(H2,16,17,22)
InChIKeyFCOIQNHOOASSGJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.17
Rot. Bonds5

About 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 18564055) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID18564055
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCC(CO)(CO)NC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O4/c1-15(9-19,10-20)17-14(22)16-11-7-13(21)18(8-11)12-5-3-2-4-6-12/h2-6,11,19-20H,7-10H2,1H3,(H2,16,17,22)
InChIKeyFCOIQNHOOASSGJ-UHFFFAOYSA-N
XLogP-0.17
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513340
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215150
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564211
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564175
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 18564055) is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is CC(CO)(CO)NC(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is FCOIQNHOOASSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(9-19,10-20)17-14(22)16-11-7-13(21)18(8-11)12-5-3-2-4-6-12/h2-6,11,19-20H,7-10H2,1H3,(H2,16,17,22).
What are the key properties of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 307.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 18564055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).