2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide

C17H22N2O — CID 60820990

IUPAC2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C17H22N2O/c1-13-7-2-5-11-16(13)19-17(20)15-10-4-3-8-14(15)9-6-12-18/h3-4,8,10,13,16H,2,5,7,11-12,18H2,1H3,(H,19,20)
InChIKeyPZHIXEHSPDXKHG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide

2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide (PubChem CID 60820990) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
PubChem CID60820990
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C17H22N2O/c1-13-7-2-5-11-16(13)19-17(20)15-10-4-3-8-14(15)9-6-12-18/h3-4,8,10,13,16H,2,5,7,11-12,18H2,1H3,(H,19,20)
InChIKeyPZHIXEHSPDXKHG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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

2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
CID 79871842
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 66482908
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66472652

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide (CID 60820990) is 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide?
The InChIKey is PZHIXEHSPDXKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-7-2-5-11-16(13)19-17(20)15-10-4-3-8-14(15)9-6-12-18/h3-4,8,10,13,16H,2,5,7,11-12,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide?
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 60820990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).