[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate

C13H18N2O4 — CID 61485788

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
SMILESCOCCNC(=O)COC(=O)c1cccc(N)c1C
InChIInChI=1S/C13H18N2O4/c1-9-10(4-3-5-11(9)14)13(17)19-8-12(16)15-6-7-18-2/h3-5H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyPGVXDVOKUKJTTG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.50
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate (PubChem CID 61485788) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
PubChem CID61485788
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
SMILESCOCCNC(=O)COC(=O)c1cccc(N)c1C
InChIInChI=1S/C13H18N2O4/c1-9-10(4-3-5-11(9)14)13(17)19-8-12(16)15-6-7-18-2/h3-5H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyPGVXDVOKUKJTTG-UHFFFAOYSA-N
XLogP0.50
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-2-methylbenzoate
CID 61490234
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61320756
[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504659
[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365593
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate (CID 61485788) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate is COCCNC(=O)COC(=O)c1cccc(N)c1C.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate?
The InChIKey is PGVXDVOKUKJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-10(4-3-5-11(9)14)13(17)19-8-12(16)15-6-7-18-2/h3-5H,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate has a molecular weight of 266.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate is sourced from PubChem (CID 61485788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).