N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide

C12H20NO2P — CID 146098164

IUPACN-(2-dimethylphosphorylcyclohexyl)but-2-ynamide
SMILESCC#CC(=O)NC1CCCCC1P(C)(C)=O
InChIInChI=1S/C12H20NO2P/c1-4-7-12(14)13-10-8-5-6-9-11(10)16(2,3)15/h10-11H,5-6,8-9H2,1-3H3,(H,13,14)
InChIKeyIDIQVVDSFCUSIY-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.06
Rot. Bonds2

About N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide

N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide (PubChem CID 146098164) has the molecular formula C12H20NO2P and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-dimethylphosphorylcyclohexyl)but-2-ynamide
PubChem CID146098164
Molecular FormulaC12H20NO2P
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN-(2-dimethylphosphorylcyclohexyl)but-2-ynamide
SMILESCC#CC(=O)NC1CCCCC1P(C)(C)=O
InChIInChI=1S/C12H20NO2P/c1-4-7-12(14)13-10-8-5-6-9-11(10)16(2,3)15/h10-11H,5-6,8-9H2,1-3H3,(H,13,14)
InChIKeyIDIQVVDSFCUSIY-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
CID 107989705
4-(but-2-ynoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 107987004
N-cyclohex-3-en-1-ylbut-2-ynamide
CID 130621125
N-(2-oxooxolan-3-yl)but-2-ynamide
CID 100916282
N-[(3S)-2-oxooxolan-3-yl]but-2-ynamide
CID 45082630
N-(3-propan-2-ylcyclobutyl)but-2-ynamide
CID 131038848
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213
N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
CID 106123398
N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
CID 166418556
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184
N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide
CID 146101994
N-(2-methylpiperidin-3-yl)prop-2-ynamide
CID 114694858

Frequently Asked Questions

What is the IUPAC name of N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide?
The IUPAC name of N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide (CID 146098164) is N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide.
What is the SMILES notation for N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide?
The canonical SMILES for N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide is CC#CC(=O)NC1CCCCC1P(C)(C)=O.
What is the InChIKey of N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide?
The InChIKey is IDIQVVDSFCUSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2P/c1-4-7-12(14)13-10-8-5-6-9-11(10)16(2,3)15/h10-11H,5-6,8-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide?
N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide has a molecular weight of 241.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide is sourced from PubChem (CID 146098164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).