N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

C18H22N4O4 — CID 121064479

IUPACN-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc(OCCNC(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O4/c1-3-14-10-18(25)22(12-20-14)11-17(24)21-15-4-6-16(7-5-15)26-9-8-19-13(2)23/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyWGTJJNRXANGWGT-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.96
Rot. Bonds8

About N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064479) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064479
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc(OCCNC(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O4/c1-3-14-10-18(25)22(12-20-14)11-17(24)21-15-4-6-16(7-5-15)26-9-8-19-13(2)23/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyWGTJJNRXANGWGT-UHFFFAOYSA-N
XLogP0.96
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050682
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051137
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121064463
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (CID 121064479) is N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is CCc1cc(=O)n(CC(=O)Nc2ccc(OCCNC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is WGTJJNRXANGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-14-10-18(25)22(12-20-14)11-17(24)21-15-4-6-16(7-5-15)26-9-8-19-13(2)23/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,23)(H,21,24).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).