1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea

C19H23N3O2 — CID 111106612

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)C1)NC(CO)c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-14-18(15-7-3-1-4-8-15)21-19(24)20-16-11-12-22(13-16)17-9-5-2-6-10-17/h1-10,16,18,23H,11-14H2,(H2,20,21,24)
InChIKeyGTGBYJRPMSJQIM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea

1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 111106612) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID111106612
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)C1)NC(CO)c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-14-18(15-7-3-1-4-8-15)21-19(24)20-16-11-12-22(13-16)17-9-5-2-6-10-17/h1-10,16,18,23H,11-14H2,(H2,20,21,24)
InChIKeyGTGBYJRPMSJQIM-UHFFFAOYSA-N
XLogP2.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 125131576
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea (CID 111106612) is 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea is O=C(NC1CCN(c2ccccc2)C1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is GTGBYJRPMSJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-14-18(15-7-3-1-4-8-15)21-19(24)20-16-11-12-22(13-16)17-9-5-2-6-10-17/h1-10,16,18,23H,11-14H2,(H2,20,21,24).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 325.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 111106612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).