2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

C15H17N3O4 — CID 9456600

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-11-2-4-12(5-3-11)22-9-7-16-14(20)10-18-8-6-13(19)17-15(18)21/h2-6,8H,7,9-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyKQSUSDDYCGWICQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.04
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 9456600) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID9456600
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-11-2-4-12(5-3-11)22-9-7-16-14(20)10-18-8-6-13(19)17-15(18)21/h2-6,8H,7,9-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyKQSUSDDYCGWICQ-UHFFFAOYSA-N
XLogP0.04
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063832
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427
2-(2,4-dioxopyrimidin-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17398844
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 9456600) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is KQSUSDDYCGWICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11-2-4-12(5-3-11)22-9-7-16-14(20)10-18-8-6-13(19)17-15(18)21/h2-6,8H,7,9-10H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9456600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).