3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C20H24N2O4 — CID 113123406

IUPAC3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-16(23)22(17-6-4-3-5-7-17)14-12-20(24)21-13-15-26-19-10-8-18(25-2)9-11-19/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyOAFACDAWCIFRJB-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.63
Rot. Bonds9

About 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 113123406) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID113123406
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-16(23)22(17-6-4-3-5-7-17)14-12-20(24)21-13-15-26-19-10-8-18(25-2)9-11-19/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyOAFACDAWCIFRJB-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113119130
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 113123406) is 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCN(C(C)=O)c2ccccc2)cc1.
What is the InChIKey of 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is OAFACDAWCIFRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-16(23)22(17-6-4-3-5-7-17)14-12-20(24)21-13-15-26-19-10-8-18(25-2)9-11-19/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 356.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 113123406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).