4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide

C19H22N2O3 — CID 37019385

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-14(2)17-6-4-5-13-20-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyPGEXRFPXACZMET-CQSZACIVSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds8

About 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide (PubChem CID 37019385) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
PubChem CID37019385
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-14(2)17-6-4-5-13-20-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyPGEXRFPXACZMET-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

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Related Compounds

4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
CID 112758991
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
(2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119363891
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide (CID 37019385) is 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide is CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccccn2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The InChIKey is PGEXRFPXACZMET-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-14(2)17-6-4-5-13-20-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-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-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide is sourced from PubChem (CID 37019385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).