[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate

C15H18N2O6 — CID 8808957

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
SMILESCNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C15H18N2O6/c1-16-13(19)7-17(2)14(20)9-23-15(21)10-22-12-5-3-11(8-18)4-6-12/h3-6,8H,7,9-10H2,1-2H3,(H,16,19)
InChIKeyHPDSLZGPWMOOJH-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.37
Rot. Bonds8

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate (PubChem CID 8808957) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
PubChem CID8808957
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
SMILESCNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C15H18N2O6/c1-16-13(19)7-17(2)14(20)9-23-15(21)10-22-12-5-3-11(8-18)4-6-12/h3-6,8H,7,9-10H2,1-2H3,(H,16,19)
InChIKeyHPDSLZGPWMOOJH-UHFFFAOYSA-N
XLogP-0.37
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492467
2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 141365248
N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761861
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
propyl 2-(4-formylphenoxy)acetate
CID 17245126
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598708
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808989
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate (CID 8808957) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate is CNC(=O)CN(C)C(=O)COC(=O)COc1ccc(C=O)cc1.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate?
The InChIKey is HPDSLZGPWMOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-16-13(19)7-17(2)14(20)9-23-15(21)10-22-12-5-3-11(8-18)4-6-12/h3-6,8H,7,9-10H2,1-2H3,(H,16,19).
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate has a molecular weight of 322.32 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate is sourced from PubChem (CID 8808957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).