4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

C20H21N3O3 — CID 22426275

IUPAC4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC2=NC(c3ccc(OC)cc3)CC(=O)N2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-13-4-6-15(7-5-13)19(25)23-20-21-17(12-18(24)22-20)14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyZCCVWIOEHJIPRR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.60
Rot. Bonds4

About 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (PubChem CID 22426275) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
PubChem CID22426275
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC2=NC(c3ccc(OC)cc3)CC(=O)N2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-13-4-6-15(7-5-13)19(25)23-20-21-17(12-18(24)22-20)14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyZCCVWIOEHJIPRR-UHFFFAOYSA-N
XLogP2.60
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (CID 22426275) is 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is CCc1ccc(C(=O)NC2=NC(c3ccc(OC)cc3)CC(=O)N2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The InChIKey is ZCCVWIOEHJIPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-13-4-6-15(7-5-13)19(25)23-20-21-17(12-18(24)22-20)14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is sourced from PubChem (CID 22426275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).