2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide

C18H24N2O — CID 79871842

IUPAC2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C18H24N2O/c1-18(2)12-6-5-11-16(18)20-17(21)15-10-4-3-8-14(15)9-7-13-19/h3-4,8,10,16H,5-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyJTXYPICBRWVDGM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.70
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide

2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide (PubChem CID 79871842) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
PubChem CID79871842
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C18H24N2O/c1-18(2)12-6-5-11-16(18)20-17(21)15-10-4-3-8-14(15)9-7-13-19/h3-4,8,10,16H,5-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyJTXYPICBRWVDGM-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.70
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-(2,2-dimethylcyclopentyl)-5-fluorobenzamide
CID 79871456
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79872322
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 81111991
3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
CID 79878594
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
N-(2,2-dimethylcyclohexyl)-2-(ethylamino)pyridine-3-carboxamide
CID 79872423
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide (CID 79871842) is 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide is CC1(C)CCCCC1NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide?
The InChIKey is JTXYPICBRWVDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2)12-6-5-11-16(18)20-17(21)15-10-4-3-8-14(15)9-7-13-19/h3-4,8,10,16H,5-6,11-13,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide?
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide has a molecular weight of 284.40 g/mol, XLogP of 2.70, 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-(2,2-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 79871842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).