methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate

C14H19NO4 — CID 112617368

IUPACmethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C14H19NO4/c1-10(15(2)13(16)14(17)19-4)9-11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3
InChIKeyJDEGAGDQUIXQIC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate

methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate (PubChem CID 112617368) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
PubChem CID112617368
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C14H19NO4/c1-10(15(2)13(16)14(17)19-4)9-11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3
InChIKeyJDEGAGDQUIXQIC-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
CID 65486876
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate (CID 112617368) is methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate is COC(=O)C(=O)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate?
The InChIKey is JDEGAGDQUIXQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(15(2)13(16)14(17)19-4)9-11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate?
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate is sourced from PubChem (CID 112617368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).