[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C17H19N3O6 — CID 9063832

IUPAC[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C17H19N3O6/c1-12-3-2-4-13(9-12)25-8-6-18-15(22)11-26-16(23)10-20-7-5-14(21)19-17(20)24/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,22)(H,19,21,24)
InChIKeySZOYKVIGDIOBSG-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.42
Rot. Bonds8

About [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 9063832) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID9063832
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C17H19N3O6/c1-12-3-2-4-13(9-12)25-8-6-18-15(22)11-26-16(23)10-20-7-5-14(21)19-17(20)24/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,22)(H,19,21,24)
InChIKeySZOYKVIGDIOBSG-UHFFFAOYSA-N
XLogP-0.42
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 29393678
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 71968867
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 33333737
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 40747500
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 9063832) is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is Cc1cccc(OCCNC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is SZOYKVIGDIOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-12-3-2-4-13(9-12)25-8-6-18-15(22)11-26-16(23)10-20-7-5-14(21)19-17(20)24/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,22)(H,19,21,24).
What are the key properties of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 361.35 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 9063832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).