2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C19H20N2O2 — CID 71848786

IUPAC2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESC#Cc1cccc(NCC(=O)NCc2ccccc2COC)c1
InChIInChI=1S/C19H20N2O2/c1-3-15-7-6-10-18(11-15)20-13-19(22)21-12-16-8-4-5-9-17(16)14-23-2/h1,4-11,20H,12-14H2,2H3,(H,21,22)
InChIKeyKRCULACREQQNIO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds7

About 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 71848786) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID71848786
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESC#Cc1cccc(NCC(=O)NCc2ccccc2COC)c1
InChIInChI=1S/C19H20N2O2/c1-3-15-7-6-10-18(11-15)20-13-19(22)21-12-16-8-4-5-9-17(16)14-23-2/h1,4-11,20H,12-14H2,2H3,(H,21,22)
InChIKeyKRCULACREQQNIO-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47170584
2-(3-ethynylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 31418252
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide
CID 97228242
2-(3-cyanophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71853113
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942336
N-(3-ethynylphenyl)-2-[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111215480
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 71848786) is 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is C#Cc1cccc(NCC(=O)NCc2ccccc2COC)c1.
What is the InChIKey of 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is KRCULACREQQNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-15-7-6-10-18(11-15)20-13-19(22)21-12-16-8-4-5-9-17(16)14-23-2/h1,4-11,20H,12-14H2,2H3,(H,21,22).
What are the key properties of 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 71848786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).