2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide

C14H18N2O — CID 106312995

IUPAC2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-12(5-2)16-14(17)13(15)11-8-6-10(3)7-9-11/h1,6-9,12-13H,5,15H2,2-3H3,(H,16,17)
InChIKeyJLZOXVJYLQMGLY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide

2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide (PubChem CID 106312995) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide
PubChem CID106312995
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-12(5-2)16-14(17)13(15)11-8-6-10(3)7-9-11/h1,6-9,12-13H,5,15H2,2-3H3,(H,16,17)
InChIKeyJLZOXVJYLQMGLY-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.52
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-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312349
2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 106312729
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
2-amino-N-(1-ethylsulfanylpropan-2-yl)-2-(4-methylphenyl)acetamide
CID 114150574
(2S)-2-amino-N-pent-1-yn-3-yl-3-phenylpropanamide
CID 106230408
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668
(2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]hexanoic acid
CID 106312836
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide (CID 106312995) is 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide is C#CC(CC)NC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide?
The InChIKey is JLZOXVJYLQMGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12(5-2)16-14(17)13(15)11-8-6-10(3)7-9-11/h1,6-9,12-13H,5,15H2,2-3H3,(H,16,17).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide?
2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-pent-1-yn-3-ylacetamide is sourced from PubChem (CID 106312995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).