2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide

C16H20N2O — CID 54921994

IUPAC2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
SMILESNCC#Cc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O/c17-12-6-8-13-7-4-5-11-15(13)16(19)18-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,9-10,12,17H2,(H,18,19)
InChIKeyDYBIPQYFMCRZBH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.06
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide

2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide (PubChem CID 54921994) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
PubChem CID54921994
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
SMILESNCC#Cc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O/c17-12-6-8-13-7-4-5-11-15(13)16(19)18-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,9-10,12,17H2,(H,18,19)
InChIKeyDYBIPQYFMCRZBH-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.06
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-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
CID 79871842
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide (CID 54921994) is 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide is NCC#Cc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide?
The InChIKey is DYBIPQYFMCRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-6-8-13-7-4-5-11-15(13)16(19)18-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,9-10,12,17H2,(H,18,19).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide?
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide has a molecular weight of 256.35 g/mol, XLogP of 2.06, 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-cyclohexylbenzamide is sourced from PubChem (CID 54921994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).