5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide

C17H22N2O — CID 65310682

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O/c1-13-9-10-14(6-5-11-18)12-16(13)17(20)19-15-7-3-2-4-8-15/h9-10,12,15H,2-4,7-8,11,18H2,1H3,(H,19,20)
InChIKeyWJAZEYTWLOFEPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.37
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide

5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide (PubChem CID 65310682) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
PubChem CID65310682
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O/c1-13-9-10-14(6-5-11-18)12-16(13)17(20)19-15-7-3-2-4-8-15/h9-10,12,15H,2-4,7-8,11,18H2,1H3,(H,19,20)
InChIKeyWJAZEYTWLOFEPV-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
CID 65310344
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586292
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 79990031
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide (CID 65310682) is 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide is Cc1ccc(C#CCN)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide?
The InChIKey is WJAZEYTWLOFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-9-10-14(6-5-11-18)12-16(13)17(20)19-15-7-3-2-4-8-15/h9-10,12,15H,2-4,7-8,11,18H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide?
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide is sourced from PubChem (CID 65310682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).