[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate

C14H20N2O4 — CID 81414457

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(3)12(17)8-20-14(18)13-10(15)6-5-7-11(13)19-4/h5-7,9H,8,15H2,1-4H3
InChIKeyFDXDTAFPRNOPFD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.30
Rot. Bonds5

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate (PubChem CID 81414457) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
PubChem CID81414457
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(3)12(17)8-20-14(18)13-10(15)6-5-7-11(13)19-4/h5-7,9H,8,15H2,1-4H3
InChIKeyFDXDTAFPRNOPFD-UHFFFAOYSA-N
XLogP1.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate 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-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
CID 81414208
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55473244
2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 103201185
[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414209

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate (CID 81414457) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCC(=O)N(C)C(C)C.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate?
The InChIKey is FDXDTAFPRNOPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16(3)12(17)8-20-14(18)13-10(15)6-5-7-11(13)19-4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).