1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C15H21N3O2 — CID 7513301

IUPAC1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-2-3-9-16-15(20)17-12-10-14(19)18(11-12)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,16,17,20)/t12-/m1/s1
InChIKeyOGVCGJGHOOSPIX-GFCCVEGCSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds5

About 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513301) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513301
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-2-3-9-16-15(20)17-12-10-14(19)18(11-12)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,16,17,20)/t12-/m1/s1
InChIKeyOGVCGJGHOOSPIX-GFCCVEGCSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513345
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7513558
1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7513555
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-pentylurea
CID 7543385
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546724
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913338

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513301) is 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is CCCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is OGVCGJGHOOSPIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-3-9-16-15(20)17-12-10-14(19)18(11-12)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,16,17,20)/t12-/m1/s1.
What are the key properties of 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).