2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C21H26N2O3 — CID 113169252

IUPAC2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCc2cccc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-8-10-19(11-9-17)23(16(2)24)15-21(25)22-13-12-18-6-5-7-20(14-18)26-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyZNCSWVDUUXZYHT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds8

About 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113169252) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113169252
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCc2cccc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-8-10-19(11-9-17)23(16(2)24)15-21(25)22-13-12-18-6-5-7-20(14-18)26-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyZNCSWVDUUXZYHT-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
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(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113180672

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113169252) is 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is CCc1ccc(N(CC(=O)NCCc2cccc(OC)c2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is ZNCSWVDUUXZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-17-8-10-19(11-9-17)23(16(2)24)15-21(25)22-13-12-18-6-5-7-20(14-18)26-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).