2-(4-methoxyphenyl)-N-pent-3-ynylacetamide

C14H17NO2 — CID 115977208

IUPAC2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO2/c1-3-4-5-10-15-14(16)11-12-6-8-13(17-2)9-7-12/h6-9H,5,10-11H2,1-2H3,(H,15,16)
InChIKeyZAZWZQLFYMGXGX-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide

2-(4-methoxyphenyl)-N-pent-3-ynylacetamide (PubChem CID 115977208) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
PubChem CID115977208
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO2/c1-3-4-5-10-15-14(16)11-12-6-8-13(17-2)9-7-12/h6-9H,5,10-11H2,1-2H3,(H,15,16)
InChIKeyZAZWZQLFYMGXGX-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-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-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide (CID 115977208) is 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide?
The InChIKey is ZAZWZQLFYMGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-5-10-15-14(16)11-12-6-8-13(17-2)9-7-12/h6-9H,5,10-11H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide?
2-(4-methoxyphenyl)-N-pent-3-ynylacetamide has a molecular weight of 231.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 115977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).