1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C18H27N3O2 — CID 108877028

IUPAC1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCCC(C)c1ccccc1NC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-5-13(4)15-8-6-7-9-16(15)20-18(23)19-14-10-17(22)21(11-14)12(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H2,19,20,23)
InChIKeyNUWAHYMTNZYDPD-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 108877028) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID108877028
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCCC(C)c1ccccc1NC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-5-13(4)15-8-6-7-9-16(15)20-18(23)19-14-10-17(22)21(11-14)12(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H2,19,20,23)
InChIKeyNUWAHYMTNZYDPD-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-(2-chloro-3-pyridinyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876870
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
1-(2-bromo-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877024
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95774853
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
1-[2-(2-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877061
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 108877028) is 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is CCC(C)c1ccccc1NC(=O)NC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is NUWAHYMTNZYDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-13(4)15-8-6-7-9-16(15)20-18(23)19-14-10-17(22)21(11-14)12(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 317.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 108877028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).