2-(N-ethylanilino)-N-prop-2-ynylacetamide

C13H16N2O — CID 78914189

IUPAC2-(N-ethylanilino)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-10-14-13(16)11-15(4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H,14,16)
InChIKeyIZDOQDGWRZDJOD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.26
Rot. Bonds5

About 2-(N-ethylanilino)-N-prop-2-ynylacetamide

2-(N-ethylanilino)-N-prop-2-ynylacetamide (PubChem CID 78914189) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-prop-2-ynylacetamide
PubChem CID78914189
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(N-ethylanilino)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-10-14-13(16)11-15(4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H,14,16)
InChIKeyIZDOQDGWRZDJOD-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-(dicyclopropylmethyl)-2-(N-ethylanilino)acetamide
CID 86918481
N,N-diethylaniline
CID 7061
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate
CID 19661893

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(N-ethylanilino)-N-prop-2-ynylacetamide (CID 78914189) is 2-(N-ethylanilino)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(N-ethylanilino)-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CC)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)-N-prop-2-ynylacetamide?
The InChIKey is IZDOQDGWRZDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-14-13(16)11-15(4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H,14,16).
What are the key properties of 2-(N-ethylanilino)-N-prop-2-ynylacetamide?
2-(N-ethylanilino)-N-prop-2-ynylacetamide has a molecular weight of 216.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-prop-2-ynylacetamide is sourced from PubChem (CID 78914189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).