1-(1-ethynylcyclohexyl)-3-phenylurea

C15H18N2O — CID 2806516

IUPAC1-(1-ethynylcyclohexyl)-3-phenylurea
SMILESC#CC1(NC(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C15H18N2O/c1-2-15(11-7-4-8-12-15)17-14(18)16-13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2,(H2,16,17,18)
InChIKeyDYCZWQAPGPRTMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.14
Rot. Bonds2

About 1-(1-ethynylcyclohexyl)-3-phenylurea

1-(1-ethynylcyclohexyl)-3-phenylurea (PubChem CID 2806516) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-ethynylcyclohexyl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-ethynylcyclohexyl)-3-phenylurea
PubChem CID2806516
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(1-ethynylcyclohexyl)-3-phenylurea
SMILESC#CC1(NC(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C15H18N2O/c1-2-15(11-7-4-8-12-15)17-14(18)16-13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2,(H2,16,17,18)
InChIKeyDYCZWQAPGPRTMF-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-ethynylcyclohexyl)-3-phenylurea 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-(2,4-difluorophenyl)-3-(1-ethynylcyclohexyl)urea
CID 3719887
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate
CID 171976389
N-butan-2-yl-1-(phenylcarbamoylamino)cyclohexane-1-carboxamide
CID 3221292
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
CID 6487848
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
CID 139535233
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107653426

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethynylcyclohexyl)-3-phenylurea?
The IUPAC name of 1-(1-ethynylcyclohexyl)-3-phenylurea (CID 2806516) is 1-(1-ethynylcyclohexyl)-3-phenylurea.
What is the SMILES notation for 1-(1-ethynylcyclohexyl)-3-phenylurea?
The canonical SMILES for 1-(1-ethynylcyclohexyl)-3-phenylurea is C#CC1(NC(=O)Nc2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-ethynylcyclohexyl)-3-phenylurea?
The InChIKey is DYCZWQAPGPRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-15(11-7-4-8-12-15)17-14(18)16-13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2,(H2,16,17,18).
What are the key properties of 1-(1-ethynylcyclohexyl)-3-phenylurea?
1-(1-ethynylcyclohexyl)-3-phenylurea has a molecular weight of 242.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethynylcyclohexyl)-3-phenylurea is sourced from PubChem (CID 2806516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).