prop-2-ynyl 2-(N-ethylanilino)propanoate

C14H17NO2 — CID 23345915

IUPACprop-2-ynyl 2-(N-ethylanilino)propanoate
SMILESC#CCOC(=O)C(C)N(CC)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-4-11-17-14(16)12(3)15(5-2)13-9-7-6-8-10-13/h1,6-10,12H,5,11H2,2-3H3
InChIKeyVBJYKLDMWJSSAK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.08
Rot. Bonds5

About prop-2-ynyl 2-(N-ethylanilino)propanoate

prop-2-ynyl 2-(N-ethylanilino)propanoate (PubChem CID 23345915) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is prop-2-ynyl 2-(N-ethylanilino)propanoate.

Molecular Properties

Compound Nameprop-2-ynyl 2-(N-ethylanilino)propanoate
PubChem CID23345915
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameprop-2-ynyl 2-(N-ethylanilino)propanoate
SMILESC#CCOC(=O)C(C)N(CC)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-4-11-17-14(16)12(3)15(5-2)13-9-7-6-8-10-13/h1,6-10,12H,5,11H2,2-3H3
InChIKeyVBJYKLDMWJSSAK-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynyl 2-phenylbutanoate
CID 78790069
benzyl 2-(N-propylanilino)propanoate
CID 174478380
prop-2-ynyl 2-acetyloxy-2-phenylacetate
CID 10911413
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
N-phenyl-N-(prop-2-ynoxymethyl)acetamide
CID 163468588
[4-(benzenesulfonyl)phenyl] 1-(N-ethylanilino)ethyl carbonate
CID 70632289
1-(N-ethylanilino)ethyl 4-phenylbenzoate
CID 70632799
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
methyl 2-(N-aminoanilino)propanoate
CID 11159863

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-(N-ethylanilino)propanoate?
The IUPAC name of prop-2-ynyl 2-(N-ethylanilino)propanoate (CID 23345915) is prop-2-ynyl 2-(N-ethylanilino)propanoate.
What is the SMILES notation for prop-2-ynyl 2-(N-ethylanilino)propanoate?
The canonical SMILES for prop-2-ynyl 2-(N-ethylanilino)propanoate is C#CCOC(=O)C(C)N(CC)c1ccccc1.
What is the InChIKey of prop-2-ynyl 2-(N-ethylanilino)propanoate?
The InChIKey is VBJYKLDMWJSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-11-17-14(16)12(3)15(5-2)13-9-7-6-8-10-13/h1,6-10,12H,5,11H2,2-3H3.
What are the key properties of prop-2-ynyl 2-(N-ethylanilino)propanoate?
prop-2-ynyl 2-(N-ethylanilino)propanoate has a molecular weight of 231.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-(N-ethylanilino)propanoate is sourced from PubChem (CID 23345915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).