[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate

C15H22N2O4 — CID 81394370

IUPAC[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCC(=O)N(CC)CC
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)13(18)10-21-15(19)14-11(16)8-7-9-12(14)20-6-3/h7-9H,4-6,10,16H2,1-3H3
InChIKeyOVLVPGZPMDZZHF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.69
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate

[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate (PubChem CID 81394370) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
PubChem CID81394370
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCC(=O)N(CC)CC
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)13(18)10-21-15(19)14-11(16)8-7-9-12(14)20-6-3/h7-9H,4-6,10,16H2,1-3H3
InChIKeyOVLVPGZPMDZZHF-UHFFFAOYSA-N
XLogP1.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
[4-(dimethylamino)-4-oxobutyl] 2-amino-6-ethoxybenzoate
CID 81394218
[2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81396527
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-amino-6-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81394645
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
CID 81394527
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate (CID 81394370) is [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OCC(=O)N(CC)CC.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate?
The InChIKey is OVLVPGZPMDZZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(5-2)13(18)10-21-15(19)14-11(16)8-7-9-12(14)20-6-3/h7-9H,4-6,10,16H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate?
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81394370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).