2-(but-2-ynylamino)-N-propylacetamide

C9H16N2O — CID 62311535

IUPAC2-(but-2-ynylamino)-N-propylacetamide
SMILESCC#CCNCC(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-3-5-7-10-8-9(12)11-6-4-2/h10H,4,6-8H2,1-2H3,(H,11,12)
InChIKeyMTAITKPZPBQUML-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.13
Rot. Bonds5

About 2-(but-2-ynylamino)-N-propylacetamide

2-(but-2-ynylamino)-N-propylacetamide (PubChem CID 62311535) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(but-2-ynylamino)-N-propylacetamide
PubChem CID62311535
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(but-2-ynylamino)-N-propylacetamide
SMILESCC#CCNCC(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-3-5-7-10-8-9(12)11-6-4-2/h10H,4,6-8H2,1-2H3,(H,11,12)
InChIKeyMTAITKPZPBQUML-UHFFFAOYSA-N
XLogP0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(but-2-ynylamino)-N-propylacetamide 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-butyl-2-(pent-3-ynylamino)acetamide
CID 116643713
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-(tert-butylamino)-N-propylacetamide
CID 28586578
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-[(2-ethoxy-2-methylpropyl)amino]-N-propylacetamide
CID 114941785
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)-N-propylacetamide?
The IUPAC name of 2-(but-2-ynylamino)-N-propylacetamide (CID 62311535) is 2-(but-2-ynylamino)-N-propylacetamide.
What is the SMILES notation for 2-(but-2-ynylamino)-N-propylacetamide?
The canonical SMILES for 2-(but-2-ynylamino)-N-propylacetamide is CC#CCNCC(=O)NCCC.
What is the InChIKey of 2-(but-2-ynylamino)-N-propylacetamide?
The InChIKey is MTAITKPZPBQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-7-10-8-9(12)11-6-4-2/h10H,4,6-8H2,1-2H3,(H,11,12).
What are the key properties of 2-(but-2-ynylamino)-N-propylacetamide?
2-(but-2-ynylamino)-N-propylacetamide has a molecular weight of 168.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)-N-propylacetamide is sourced from PubChem (CID 62311535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).