1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

C17H27N3O2 — CID 125131576

IUPAC1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESCC(C)C[C@H](CO)NC(=O)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(2)10-15(12-21)19-17(22)18-14-8-9-20(11-14)16-6-4-3-5-7-16/h3-7,13-15,21H,8-12H2,1-2H3,(H2,18,19,22)/t14-,15+/m0/s1
InChIKeyJRHNYLWBQSSDKV-LSDHHAIUSA-N
MW305.42 g/mol
LogP1.97
Rot. Bonds6

About 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (PubChem CID 125131576) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
PubChem CID125131576
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESCC(C)C[C@H](CO)NC(=O)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(2)10-15(12-21)19-17(22)18-14-8-9-20(11-14)16-6-4-3-5-7-16/h3-7,13-15,21H,8-12H2,1-2H3,(H2,18,19,22)/t14-,15+/m0/s1
InChIKeyJRHNYLWBQSSDKV-LSDHHAIUSA-N
XLogP1.97
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508504
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
1-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95614224
(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide
CID 99830387
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (CID 125131576) is 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is CC(C)C[C@H](CO)NC(=O)N[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is JRHNYLWBQSSDKV-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)10-15(12-21)19-17(22)18-14-8-9-20(11-14)16-6-4-3-5-7-16/h3-7,13-15,21H,8-12H2,1-2H3,(H2,18,19,22)/t14-,15+/m0/s1.
What are the key properties of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 305.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 125131576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).