[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C18H20N4O6 — CID 7632974

IUPAC[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H20N4O6/c1-12-3-5-13(6-4-12)19-15(24)9-21(2)16(25)11-28-17(26)10-22-8-7-14(23)20-18(22)27/h3-8H,9-11H2,1-2H3,(H,19,24)(H,20,23,27)
InChIKeyKVJCWKPZYBLGMQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP-0.51
Rot. Bonds7

About [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7632974) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7632974
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H20N4O6/c1-12-3-5-13(6-4-12)19-15(24)9-21(2)16(25)11-28-17(26)10-22-8-7-14(23)20-18(22)27/h3-8H,9-11H2,1-2H3,(H,19,24)(H,20,23,27)
InChIKeyKVJCWKPZYBLGMQ-UHFFFAOYSA-N
XLogP-0.51
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate with MolForge

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
[2-(4-butylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7602163
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632935
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632697
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633271
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692886
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378999
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
CID 8660635
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8505889
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 2520530

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7632974) is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is KVJCWKPZYBLGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-12-3-5-13(6-4-12)19-15(24)9-21(2)16(25)11-28-17(26)10-22-8-7-14(23)20-18(22)27/h3-8H,9-11H2,1-2H3,(H,19,24)(H,20,23,27).
What are the key properties of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 388.38 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7632974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).