1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea

C16H23N3O2 — CID 111106606

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)C1)N(CCO)C1CC1
InChIInChI=1S/C16H23N3O2/c20-11-10-19(15-6-7-15)16(21)17-13-8-9-18(12-13)14-4-2-1-3-5-14/h1-5,13,15,20H,6-12H2,(H,17,21)
InChIKeyANPIDEXZFIFSIS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 111106606) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID111106606
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)C1)N(CCO)C1CC1
InChIInChI=1S/C16H23N3O2/c20-11-10-19(15-6-7-15)16(21)17-13-8-9-18(12-13)14-4-2-1-3-5-14/h1-5,13,15,20H,6-12H2,(H,17,21)
InChIKeyANPIDEXZFIFSIS-UHFFFAOYSA-N
XLogP1.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea (CID 111106606) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea is O=C(NC1CCN(c2ccccc2)C1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is ANPIDEXZFIFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-11-10-19(15-6-7-15)16(21)17-13-8-9-18(12-13)14-4-2-1-3-5-14/h1-5,13,15,20H,6-12H2,(H,17,21).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 111106606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).