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

C14H17NO — CID 115977176

IUPAC2-(4-methylphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H17NO/c1-3-4-5-10-15-14(16)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-2H3,(H,15,16)
InChIKeyFEWZWIKLBYSONA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds4

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

2-(4-methylphenyl)-N-pent-3-ynylacetamide (PubChem CID 115977176) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-pent-3-ynylacetamide
PubChem CID115977176
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(4-methylphenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H17NO/c1-3-4-5-10-15-14(16)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-2H3,(H,15,16)
InChIKeyFEWZWIKLBYSONA-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
CID 115977208
1-(4-methylphenyl)hept-5-yn-2-one
CID 104803137
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
CID 104581240
2-chloro-N-pent-3-ynylacetamide
CID 116643290
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
2-(4-methylphenyl)-N-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]acetamide
CID 11861849
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(4-methylphenyl)-N-pent-3-ynylacetamide (CID 115977176) is 2-(4-methylphenyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)Cc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-pent-3-ynylacetamide?
The InChIKey is FEWZWIKLBYSONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-5-10-15-14(16)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)-N-pent-3-ynylacetamide?
2-(4-methylphenyl)-N-pent-3-ynylacetamide has a molecular weight of 215.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 115977176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).