2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide

C13H16N2O — CID 114416946

IUPAC2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
SMILESC#CC(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h1,5-8,11,14H,9H2,2-3H3,(H,15,16)
InChIKeyDXXAOODNFSVINZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.54
Rot. Bonds4

About 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide

2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide (PubChem CID 114416946) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
PubChem CID114416946
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
SMILESC#CC(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h1,5-8,11,14H,9H2,2-3H3,(H,15,16)
InChIKeyDXXAOODNFSVINZ-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.54
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-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 106160802

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide (CID 114416946) is 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide is C#CC(C)NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide?
The InChIKey is DXXAOODNFSVINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h1,5-8,11,14H,9H2,2-3H3,(H,15,16).
What are the key properties of 2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide?
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 1.54, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 114416946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).