4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide

C19H22N2O3 — CID 34762946

IUPAC4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(16-9-11-20-12-10-16)21-19(23)4-3-13-24-18-7-5-17(6-8-18)15(2)22/h5-12,14H,3-4,13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyOWSDEYZCWRJNDQ-CQSZACIVSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide

4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide (PubChem CID 34762946) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
PubChem CID34762946
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(16-9-11-20-12-10-16)21-19(23)4-3-13-24-18-7-5-17(6-8-18)15(2)22/h5-12,14H,3-4,13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyOWSDEYZCWRJNDQ-CQSZACIVSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 134035078
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 78778582
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
2-[4-(4-acetylphenoxy)butanoylamino]butanoic acid
CID 119223471
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide (CID 34762946) is 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide is CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccncc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is OWSDEYZCWRJNDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(16-9-11-20-12-10-16)21-19(23)4-3-13-24-18-7-5-17(6-8-18)15(2)22/h5-12,14H,3-4,13H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 326.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 34762946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).