2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C19H22N2O3 — CID 113167110

IUPAC2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-15(22)21(17-8-4-3-5-9-17)14-19(23)20-12-11-16-7-6-10-18(13-16)24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,23)
InChIKeyLCZDCCDBAQLBBY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds7

About 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113167110) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113167110
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-15(22)21(17-8-4-3-5-9-17)14-19(23)20-12-11-16-7-6-10-18(13-16)24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,23)
InChIKeyLCZDCCDBAQLBBY-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113180672
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
N'-benzyl-N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 108985483
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113131113
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113167110) is 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2)c1.
What is the InChIKey of 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is LCZDCCDBAQLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(22)21(17-8-4-3-5-9-17)14-19(23)20-12-11-16-7-6-10-18(13-16)24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113167110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).