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

C18H26N4O2 — CID 7513558

IUPAC1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h1-3,7-8,15H,4-6,9-14H2,(H2,19,20,24)/t15-/m1/s1
InChIKeyWGJRHUYVJHIGOB-OAHLLOKOSA-N
MW330.43 g/mol
LogP1.58
Rot. Bonds6

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

1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea (PubChem CID 7513558) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
PubChem CID7513558
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h1-3,7-8,15H,4-6,9-14H2,(H2,19,20,24)/t15-/m1/s1
InChIKeyWGJRHUYVJHIGOB-OAHLLOKOSA-N
XLogP1.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7548425
1-[3-(azepan-1-yl)propyl]-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547599
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7513555
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-(3-ethoxypropyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513345
1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 97080337
1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111913051
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 16801428
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(3-morpholin-4-ylpropyl)urea
CID 7543240

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea (CID 7513558) is 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea is O=C(NCCCN1CCCC1)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is WGJRHUYVJHIGOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h1-3,7-8,15H,4-6,9-14H2,(H2,19,20,24)/t15-/m1/s1.
What are the key properties of 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 7513558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).