3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide

C20H20N2O4 — CID 55834639

IUPAC3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OCC)c2)c1
InChIInChI=1S/C20H20N2O4/c1-4-14-7-6-8-16(11-14)22-19(23)13-21-20(24)15-9-10-17(25-3)18(12-15)26-5-2/h1,6-12H,5,13H2,2-3H3,(H,21,24)(H,22,23)
InChIKeyNGQLDFHGBJDOQL-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.44
Rot. Bonds7

About 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide

3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 55834639) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID55834639
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OCC)c2)c1
InChIInChI=1S/C20H20N2O4/c1-4-14-7-6-8-16(11-14)22-19(23)13-21-20(24)15-9-10-17(25-3)18(12-15)26-5-2/h1,6-12H,5,13H2,2-3H3,(H,21,24)(H,22,23)
InChIKeyNGQLDFHGBJDOQL-UHFFFAOYSA-N
XLogP2.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 55836547
3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55514324

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide (CID 55834639) is 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide is C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is NGQLDFHGBJDOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-14-7-6-8-16(11-14)22-19(23)13-21-20(24)15-9-10-17(25-3)18(12-15)26-5-2/h1,6-12H,5,13H2,2-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide?
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 55834639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).