1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

C17H24N2O3 — CID 111631453

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-15-8-6-13(7-9-15)18-16(21)19-14-5-4-12(10-14)11-20/h4-9,12,14,20H,10-11H2,1-3H3,(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyHPMYDYPKSBMVQB-GXTWGEPZSA-N
MW304.39 g/mol
LogP2.92
Rot. Bonds4

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (PubChem CID 111631453) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
PubChem CID111631453
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-15-8-6-13(7-9-15)18-16(21)19-14-5-4-12(10-14)11-20/h4-9,12,14,20H,10-11H2,1-3H3,(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyHPMYDYPKSBMVQB-GXTWGEPZSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (CID 111631453) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The InChIKey is HPMYDYPKSBMVQB-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-15-8-6-13(7-9-15)18-16(21)19-14-5-4-12(10-14)11-20/h4-9,12,14,20H,10-11H2,1-3H3,(H2,18,19,21)/t12-,14+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is sourced from PubChem (CID 111631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).