2-(pent-4-ynylamino)-N-phenylacetamide

C13H16N2O — CID 106221583

IUPAC2-(pent-4-ynylamino)-N-phenylacetamide
SMILESC#CCCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-3-7-10-14-11-13(16)15-12-8-5-4-6-9-12/h1,4-6,8-9,14H,3,7,10-11H2,(H,15,16)
InChIKeyASYHJADQNFPKOU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.63
Rot. Bonds6

About 2-(pent-4-ynylamino)-N-phenylacetamide

2-(pent-4-ynylamino)-N-phenylacetamide (PubChem CID 106221583) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(pent-4-ynylamino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(pent-4-ynylamino)-N-phenylacetamide
PubChem CID106221583
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(pent-4-ynylamino)-N-phenylacetamide
SMILESC#CCCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-3-7-10-14-11-13(16)15-12-8-5-4-6-9-12/h1,4-6,8-9,14H,3,7,10-11H2,(H,15,16)
InChIKeyASYHJADQNFPKOU-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.63
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'}

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Related Compounds

2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428792
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
2-(hex-5-ynylamino)-N-(2-methoxyphenyl)acetamide
CID 106211964
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
CID 106221350
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-ynylamino)-N-phenylacetamide?
The IUPAC name of 2-(pent-4-ynylamino)-N-phenylacetamide (CID 106221583) is 2-(pent-4-ynylamino)-N-phenylacetamide.
What is the SMILES notation for 2-(pent-4-ynylamino)-N-phenylacetamide?
The canonical SMILES for 2-(pent-4-ynylamino)-N-phenylacetamide is C#CCCCNCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(pent-4-ynylamino)-N-phenylacetamide?
The InChIKey is ASYHJADQNFPKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-7-10-14-11-13(16)15-12-8-5-4-6-9-12/h1,4-6,8-9,14H,3,7,10-11H2,(H,15,16).
What are the key properties of 2-(pent-4-ynylamino)-N-phenylacetamide?
2-(pent-4-ynylamino)-N-phenylacetamide has a molecular weight of 216.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-ynylamino)-N-phenylacetamide is sourced from PubChem (CID 106221583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).