2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide

C15H20N2O2 — CID 106211596

IUPAC2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
SMILESC#CCCCCNCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-6-11-16-12-15(18)17-13-7-9-14(19-2)10-8-13/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18)
InChIKeyBIEHOWZVGPUETE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.03
Rot. Bonds8

About 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide

2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide (PubChem CID 106211596) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
PubChem CID106211596
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
SMILESC#CCCCCNCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-6-11-16-12-15(18)17-13-7-9-14(19-2)10-8-13/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18)
InChIKeyBIEHOWZVGPUETE-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide 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-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519079
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571333
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide (CID 106211596) is 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide is C#CCCCCNCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is BIEHOWZVGPUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-5-6-11-16-12-15(18)17-13-7-9-14(19-2)10-8-13/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18).
What are the key properties of 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide?
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 106211596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).