1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea

C17H22N2O2 — CID 82750019

IUPAC1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea
SMILESCc1ccc(C#CCO)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-13-9-10-14(6-5-11-20)16(12-13)19-17(21)18-15-7-3-2-4-8-15/h9-10,12,15,20H,2-4,7-8,11H2,1H3,(H2,18,19,21)
InChIKeyCRLTXPMYVPAYGT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds2

About 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea

1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea (PubChem CID 82750019) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea
PubChem CID82750019
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea
SMILESCc1ccc(C#CCO)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-13-9-10-14(6-5-11-20)16(12-13)19-17(21)18-15-7-3-2-4-8-15/h9-10,12,15,20H,2-4,7-8,11H2,1H3,(H2,18,19,21)
InChIKeyCRLTXPMYVPAYGT-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82746849
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82766659
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylcyclohexane-1-carboxamide
CID 106828212
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxane-3-carboxamide
CID 82766265
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide
CID 82767048

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea (CID 82750019) is 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea is Cc1ccc(C#CCO)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea?
The InChIKey is CRLTXPMYVPAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-9-10-14(6-5-11-20)16(12-13)19-17(21)18-15-7-3-2-4-8-15/h9-10,12,15,20H,2-4,7-8,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea?
1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea has a molecular weight of 286.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea is sourced from PubChem (CID 82750019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).