4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide

C23H25NO3 — CID 2965186

IUPAC4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)c1
InChIInChI=1S/C23H25NO3/c1-17(25)20-6-5-7-21(16-20)24-22(26)19-10-8-18(9-11-19)12-15-23(27)13-3-2-4-14-23/h5-11,16-17,25,27H,2-4,13-14H2,1H3,(H,24,26)
InChIKeyJCYFSPBTFBQZMQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.04
Rot. Bonds3

About 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide

4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 2965186) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide
PubChem CID2965186
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)c1
InChIInChI=1S/C23H25NO3/c1-17(25)20-6-5-7-21(16-20)24-22(26)19-10-8-18(9-11-19)12-15-23(27)13-3-2-4-14-23/h5-11,16-17,25,27H,2-4,13-14H2,1H3,(H,24,26)
InChIKeyJCYFSPBTFBQZMQ-UHFFFAOYSA-N
XLogP4.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
4-[2-(1-aminocyclohexyl)ethynyl]-N-phenylbenzamide
CID 91807581
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180494

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide (CID 2965186) is 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1cccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)c1.
What is the InChIKey of 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is JCYFSPBTFBQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17(25)20-6-5-7-21(16-20)24-22(26)19-10-8-18(9-11-19)12-15-23(27)13-3-2-4-14-23/h5-11,16-17,25,27H,2-4,13-14H2,1H3,(H,24,26).
What are the key properties of 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide?
4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-[3-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 2965186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).