[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate

C15H20N2O4 — CID 9016204

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-13(18)10-17(2)14(19)11-21-15(20)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,18)
InChIKeyHSHPCHQFCYMHFT-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.37
Rot. Bonds7

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 9016204) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID9016204
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-13(18)10-17(2)14(19)11-21-15(20)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,18)
InChIKeyHSHPCHQFCYMHFT-UHFFFAOYSA-N
XLogP0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016493
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200643
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627927
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492467
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 9019075

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate (CID 9016204) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate is CNC(=O)CN(C)C(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is HSHPCHQFCYMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-13(18)10-17(2)14(19)11-21-15(20)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,18).
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 9016204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).