3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide

C18H21N3O3 — CID 113129082

IUPAC3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-14(22)21(16-3-5-17(24-2)6-4-16)12-9-18(23)20-13-15-7-10-19-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23)
InChIKeyTWJVMAYJKRNASC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.15
Rot. Bonds7

About 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113129082) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113129082
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-14(22)21(16-3-5-17(24-2)6-4-16)12-9-18(23)20-13-15-7-10-19-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23)
InChIKeyTWJVMAYJKRNASC-UHFFFAOYSA-N
XLogP2.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113129082) is 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is TWJVMAYJKRNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(22)21(16-3-5-17(24-2)6-4-16)12-9-18(23)20-13-15-7-10-19-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113129082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).