2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide

C19H22N2O3 — CID 113173931

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
SMILESCCOc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-18-12-10-17(11-13-18)21(15(2)22)14-19(23)20(3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeyIBHXUIRQZULSPT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds6

About 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide

2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide (PubChem CID 113173931) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
PubChem CID113173931
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
SMILESCCOc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-18-12-10-17(11-13-18)21(15(2)22)14-19(23)20(3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeyIBHXUIRQZULSPT-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
CID 113173899
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
CID 113172243
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide
CID 110025490
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide (CID 113173931) is 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide is CCOc1ccc(N(CC(=O)N(C)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide?
The InChIKey is IBHXUIRQZULSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-18-12-10-17(11-13-18)21(15(2)22)14-19(23)20(3)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide?
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113173931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).