[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate

C14H20N2O4 — CID 81092336

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)16(3)13(17)8-20-14(18)10-5-11(15)7-12(6-10)19-4/h5-7,9H,8,15H2,1-4H3
InChIKeyXDDURPYMKOMLIN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.30
Rot. Bonds5

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate (PubChem CID 81092336) 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] 3-amino-5-methoxybenzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
PubChem CID81092336
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)16(3)13(17)8-20-14(18)10-5-11(15)7-12(6-10)19-4/h5-7,9H,8,15H2,1-4H3
InChIKeyXDDURPYMKOMLIN-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] 3-amino-5-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] 3-amino-5-ethoxybenzoate
CID 81093375
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81092520
(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
[2-(3-methylbutylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81093824
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-methoxybenzoate
CID 81095128
3-(3-amino-5-methoxybenzoyl)oxy-2,2-dimethylpropanoic acid
CID 81092161
2-propylsulfonylethyl 3-amino-5-methoxybenzoate
CID 106728853
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
CID 81091355
[2-oxo-2-(propan-2-ylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516356
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55401581
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706272

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate (CID 81092336) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate is COc1cc(N)cc(C(=O)OCC(=O)N(C)C(C)C)c1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The InChIKey is XDDURPYMKOMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16(3)13(17)8-20-14(18)10-5-11(15)7-12(6-10)19-4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-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] 3-amino-5-methoxybenzoate is sourced from PubChem (CID 81092336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).