5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide

C20H26N2O2 — CID 166636388

IUPAC5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1cc(C#CC2CCCC2)ccc1NC1CCC(O)CC1
InChIInChI=1S/C20H26N2O2/c21-20(24)18-13-15(6-5-14-3-1-2-4-14)7-12-19(18)22-16-8-10-17(23)11-9-16/h7,12-14,16-17,22-23H,1-4,8-11H2,(H2,21,24)
InChIKeyCENZZXCEHAQVMN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.04
Rot. Bonds3

About 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide

5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide (PubChem CID 166636388) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
PubChem CID166636388
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1cc(C#CC2CCCC2)ccc1NC1CCC(O)CC1
InChIInChI=1S/C20H26N2O2/c21-20(24)18-13-15(6-5-14-3-1-2-4-14)7-12-19(18)22-16-8-10-17(23)11-9-16/h7,12-14,16-17,22-23H,1-4,8-11H2,(H2,21,24)
InChIKeyCENZZXCEHAQVMN-UHFFFAOYSA-N
XLogP3.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.04
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

5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
2-(cyclopropylamino)benzamide
CID 119089293
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline
CID 166982155
3-amino-4-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 18509705
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
CID 24995493
5-amino-2-[(3-methylcyclopentyl)amino]benzamide
CID 114550804
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CID 60929293
cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
CID 106322091

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The IUPAC name of 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide (CID 166636388) is 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide.
What is the SMILES notation for 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The canonical SMILES for 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide is NC(=O)c1cc(C#CC2CCCC2)ccc1NC1CCC(O)CC1.
What is the InChIKey of 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The InChIKey is CENZZXCEHAQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c21-20(24)18-13-15(6-5-14-3-1-2-4-14)7-12-19(18)22-16-8-10-17(23)11-9-16/h7,12-14,16-17,22-23H,1-4,8-11H2,(H2,21,24).
What are the key properties of 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide is sourced from PubChem (CID 166636388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).