2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide

C18H21N3O2 — CID 113169052

IUPAC2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-16-6-4-5-7-17(16)21(14(2)22)13-18(23)20-12-15-8-10-19-11-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyLONVACFHLSFMKI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.31
Rot. Bonds6

About 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113169052) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113169052
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-16-6-4-5-7-17(16)21(14(2)22)13-18(23)20-12-15-8-10-19-11-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyLONVACFHLSFMKI-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113169052) is 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide is CCc1ccccc1N(CC(=O)NCc1ccncc1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LONVACFHLSFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-16-6-4-5-7-17(16)21(14(2)22)13-18(23)20-12-15-8-10-19-11-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113169052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).