methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate

C14H19NO4 — CID 141001456

IUPACmethyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
SMILESCOCC(=O)N(c1ccccc1)C(C)(C)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-14(2,13(17)19-4)15(12(16)10-18-3)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyOIECJHVIJFXFBH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate

methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate (PubChem CID 141001456) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
PubChem CID141001456
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
SMILESCOCC(=O)N(c1ccccc1)C(C)(C)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-14(2,13(17)19-4)15(12(16)10-18-3)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyOIECJHVIJFXFBH-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N'-phenyl-N-[4-(trifluoromethyl)phenyl]acetohydrazide
CID 22159723
[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate
CID 54207985
N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
CID 102198875
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide
CID 13084037
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
1-tert-butyl-1-phenylurea
CID 19102233

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate?
The IUPAC name of methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate (CID 141001456) is methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate is COCC(=O)N(c1ccccc1)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate?
The InChIKey is OIECJHVIJFXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,13(17)19-4)15(12(16)10-18-3)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate?
methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate is sourced from PubChem (CID 141001456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).