2-cyclohexyl-N-ethynylacetamide

C10H15NO — CID 69021361

IUPAC2-cyclohexyl-N-ethynylacetamide
SMILESC#CNC(=O)CC1CCCCC1
InChIInChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h1,9H,3-8H2,(H,11,12)
InChIKeyAVFOEQRQRYZCKZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.66
Rot. Bonds2

About 2-cyclohexyl-N-ethynylacetamide

2-cyclohexyl-N-ethynylacetamide (PubChem CID 69021361) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethynylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-ethynylacetamide
PubChem CID69021361
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-cyclohexyl-N-ethynylacetamide
SMILESC#CNC(=O)CC1CCCCC1
InChIInChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h1,9H,3-8H2,(H,11,12)
InChIKeyAVFOEQRQRYZCKZ-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
1-cycloheptylhex-5-yn-2-one
CID 114972742
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
CID 163822868
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-cyclobutyl-N-methylacetamide
CID 57296172
N-but-2-ynyl-2-cyclopentylacetamide
CID 130621524
2-cyclopentyl-N-ethenylacetamide
CID 167497333
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
methyl N-(2-cyclohexylacetyl)carbamimidothioate
CID 146427733
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethynylacetamide?
The IUPAC name of 2-cyclohexyl-N-ethynylacetamide (CID 69021361) is 2-cyclohexyl-N-ethynylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-ethynylacetamide?
The canonical SMILES for 2-cyclohexyl-N-ethynylacetamide is C#CNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethynylacetamide?
The InChIKey is AVFOEQRQRYZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h1,9H,3-8H2,(H,11,12).
What are the key properties of 2-cyclohexyl-N-ethynylacetamide?
2-cyclohexyl-N-ethynylacetamide has a molecular weight of 165.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethynylacetamide is sourced from PubChem (CID 69021361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).