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

C22H28N2O3 — CID 113125200

IUPAC3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCc1ccccc1N(CCC(=O)NCCc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-4-19-7-5-6-8-21(19)24(17(2)25)16-14-22(26)23-15-13-18-9-11-20(27-3)12-10-18/h5-12H,4,13-16H2,1-3H3,(H,23,26)
InChIKeyIQBUKYSTZILGLY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.36
Rot. Bonds9

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

3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 113125200) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID113125200
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCc1ccccc1N(CCC(=O)NCCc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-4-19-7-5-6-8-21(19)24(17(2)25)16-14-22(26)23-15-13-18-9-11-20(27-3)12-10-18/h5-12H,4,13-16H2,1-3H3,(H,23,26)
InChIKeyIQBUKYSTZILGLY-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2897499
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 113125200) is 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is CCc1ccccc1N(CCC(=O)NCCc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is IQBUKYSTZILGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-19-7-5-6-8-21(19)24(17(2)25)16-14-22(26)23-15-13-18-9-11-20(27-3)12-10-18/h5-12H,4,13-16H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113125200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).