4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide

C17H18N2O3 — CID 18109216

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-14-9-11-18-12-10-14/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyOKLBLBXVUKCFNA-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.08
Rot. Bonds7

About 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide

4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide (PubChem CID 18109216) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide
PubChem CID18109216
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-14-9-11-18-12-10-14/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyOKLBLBXVUKCFNA-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide (CID 18109216) is 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The InChIKey is OKLBLBXVUKCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-14-9-11-18-12-10-14/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
4-(4-ethoxyphenyl)-4-oxo-N-pyridin-4-ylbutanamide has a molecular weight of 298.34 g/mol, XLogP of 3.08, 7 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-pyridin-4-ylbutanamide is sourced from PubChem (CID 18109216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).