2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C22H21N3O4 — CID 121119254

IUPAC2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C22H21N3O4/c1-16-13-21(27)25(15-24-16)12-11-23-20(26)14-29-19-9-7-18(8-10-19)22(28)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,23,26)
InChIKeyNCCBZXARGVMTFG-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.98
Rot. Bonds8

About 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119254) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121119254
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C22H21N3O4/c1-16-13-21(27)25(15-24-16)12-11-23-20(26)14-29-19-9-7-18(8-10-19)22(28)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,23,26)
InChIKeyNCCBZXARGVMTFG-UHFFFAOYSA-N
XLogP1.98
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 121106546
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
CID 9315010
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119254) is 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1cc(=O)n(CCNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cn1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is NCCBZXARGVMTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-16-13-21(27)25(15-24-16)12-11-23-20(26)14-29-19-9-7-18(8-10-19)22(28)17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).