1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C16H23N3O2 — CID 43969243

IUPAC1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCC(C)CCNC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(2)8-9-17-16(21)18-13-10-15(20)19(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyWKMJPRWOQNQOEQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds5

About 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 43969243) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID43969243
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCC(C)CCNC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(2)8-9-17-16(21)18-13-10-15(20)19(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyWKMJPRWOQNQOEQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513345
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7513558
1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969759
1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7513555
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97201749
2-methyl-N-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]propanamide
CID 111913379
benzyl-methyl-[2-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]azanium
CID 7215051

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 43969243) is 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is CC(C)CCNC(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is WKMJPRWOQNQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)8-9-17-16(21)18-13-10-15(20)19(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 43969243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).