2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide

C12H20N2O — CID 114416819

IUPAC2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
SMILESC#CC(C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-10(2)13-9-12(15)14-11-7-5-4-6-8-11/h1,10-11,13H,4-9H2,2H3,(H,14,15)
InChIKeyZYIXMXWJAVTCMS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.05
Rot. Bonds4

About 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide

2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide (PubChem CID 114416819) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
PubChem CID114416819
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
SMILESC#CC(C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-10(2)13-9-12(15)14-11-7-5-4-6-8-11/h1,10-11,13H,4-9H2,2H3,(H,14,15)
InChIKeyZYIXMXWJAVTCMS-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
CID 106229084
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
CID 82938571
N-cyclohexyl-2-(1,3-dihydroxypropan-2-ylamino)acetamide
CID 65313308
N-cyclopentyl-2-(3-ethylpentan-2-ylamino)acetamide
CID 55260185
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide?
The IUPAC name of 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide (CID 114416819) is 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide is C#CC(C)NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide?
The InChIKey is ZYIXMXWJAVTCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-10(2)13-9-12(15)14-11-7-5-4-6-8-11/h1,10-11,13H,4-9H2,2H3,(H,14,15).
What are the key properties of 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide?
2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide has a molecular weight of 208.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide is sourced from PubChem (CID 114416819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).