2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide

C22H23N3O3 — CID 136816308

IUPAC2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-3-28-20-12-8-7-11-18(20)22(27)25-19(16-9-5-4-6-10-16)13-17-14-21(26)24-15(2)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyKABGNKBTMLEVSU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.19
Rot. Bonds7

About 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide

2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide (PubChem CID 136816308) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
PubChem CID136816308
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-3-28-20-12-8-7-11-18(20)22(27)25-19(16-9-5-4-6-10-16)13-17-14-21(26)24-15(2)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyKABGNKBTMLEVSU-UHFFFAOYSA-N
XLogP3.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 136816284
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide
CID 136891459
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 136816353
4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 136907963
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136858703
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
CID 11365555
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide (CID 136816308) is 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide is CCOc1ccccc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The InChIKey is KABGNKBTMLEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-20-12-8-7-11-18(20)22(27)25-19(16-9-5-4-6-10-16)13-17-14-21(26)24-15(2)23-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 136816308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).