N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide

C22H23N3O3 — CID 121106549

IUPACN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide
SMILESCCOc1ccc(-c2cc(=O)n(CCNC(=O)c3ccccc3C)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-18-10-8-17(9-11-18)20-14-21(26)25(15-24-20)13-12-23-22(27)19-7-5-4-6-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,27)
InChIKeyFWSVIEBMJOQXBA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide

N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide (PubChem CID 121106549) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide
PubChem CID121106549
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide
SMILESCCOc1ccc(-c2cc(=O)n(CCNC(=O)c3ccccc3C)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-18-10-8-17(9-11-18)20-14-21(26)25(15-24-20)13-12-23-22(27)19-7-5-4-6-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,27)
InChIKeyFWSVIEBMJOQXBA-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 121106546
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121106806
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenylbutanamide
CID 121106619
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
2-(2-chloro-6-fluorophenyl)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 121106801
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
2-(3,5-dimethylphenoxy)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]propanamide
CID 121106658
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121106637
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 90516055
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide (CID 121106549) is N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide is CCOc1ccc(-c2cc(=O)n(CCNC(=O)c3ccccc3C)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is FWSVIEBMJOQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-18-10-8-17(9-11-18)20-14-21(26)25(15-24-20)13-12-23-22(27)19-7-5-4-6-16(19)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide?
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 377.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 121106549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).