1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea

C14H18N2O2 — CID 60803087

IUPAC1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)ccc1C#CCO
InChIInChI=1S/C14H18N2O2/c1-10(2)15-14(18)16-13-7-6-12(5-4-8-17)11(3)9-13/h6-7,9-10,17H,8H2,1-3H3,(H2,15,16,18)
InChIKeySZXSMIXUIDVFBX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds2

About 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea

1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea (PubChem CID 60803087) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
PubChem CID60803087
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)ccc1C#CCO
InChIInChI=1S/C14H18N2O2/c1-10(2)15-14(18)16-13-7-6-12(5-4-8-17)11(3)9-13/h6-7,9-10,17H,8H2,1-3H3,(H2,15,16,18)
InChIKeySZXSMIXUIDVFBX-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea 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

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
CID 60803467
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-propan-2-ylurea
CID 60804841
1-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propan-2-ylurea
CID 65435681
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805059
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea (CID 60803087) is 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea is Cc1cc(NC(=O)NC(C)C)ccc1C#CCO.
What is the InChIKey of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea?
The InChIKey is SZXSMIXUIDVFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)15-14(18)16-13-7-6-12(5-4-8-17)11(3)9-13/h6-7,9-10,17H,8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea?
1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea has a molecular weight of 246.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 60803087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).