2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide

C14H18N2O — CID 106312753

IUPAC2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-10-16-14(17)13(15)12-8-6-11(2)7-9-12/h6-9,13H,5,10,15H2,1-2H3,(H,16,17)
InChIKeyYHVPMLAXJVEYIU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide

2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide (PubChem CID 106312753) 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-3-ynylacetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
PubChem CID106312753
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-10-16-14(17)13(15)12-8-6-11(2)7-9-12/h6-9,13H,5,10,15H2,1-2H3,(H,16,17)
InChIKeyYHVPMLAXJVEYIU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide 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

2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide (CID 106312753) is 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The InChIKey is YHVPMLAXJVEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-5-10-16-14(17)13(15)12-8-6-11(2)7-9-12/h6-9,13H,5,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide?
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide 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-3-ynylacetamide is sourced from PubChem (CID 106312753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).