ethyl 4-(diethoxyamino)benzoate

C13H19NO4 — CID 22239273

IUPACethyl 4-(diethoxyamino)benzoate
SMILESCCOC(=O)c1ccc(N(OCC)OCC)cc1
InChIInChI=1S/C13H19NO4/c1-4-16-13(15)11-7-9-12(10-8-11)14(17-5-2)18-6-3/h7-10H,4-6H2,1-3H3
InChIKeyTXCSWUDCVVHMEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.57
Rot. Bonds7

About ethyl 4-(diethoxyamino)benzoate

ethyl 4-(diethoxyamino)benzoate (PubChem CID 22239273) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-(diethoxyamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(diethoxyamino)benzoate
PubChem CID22239273
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 4-(diethoxyamino)benzoate
SMILESCCOC(=O)c1ccc(N(OCC)OCC)cc1
InChIInChI=1S/C13H19NO4/c1-4-16-13(15)11-7-9-12(10-8-11)14(17-5-2)18-6-3/h7-10H,4-6H2,1-3H3
InChIKeyTXCSWUDCVVHMEH-UHFFFAOYSA-N
XLogP2.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
ethyl 4-(N-aminoanilino)benzoate
CID 15629747
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethoxyamino)benzoate?
The IUPAC name of ethyl 4-(diethoxyamino)benzoate (CID 22239273) is ethyl 4-(diethoxyamino)benzoate.
What is the SMILES notation for ethyl 4-(diethoxyamino)benzoate?
The canonical SMILES for ethyl 4-(diethoxyamino)benzoate is CCOC(=O)c1ccc(N(OCC)OCC)cc1.
What is the InChIKey of ethyl 4-(diethoxyamino)benzoate?
The InChIKey is TXCSWUDCVVHMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-16-13(15)11-7-9-12(10-8-11)14(17-5-2)18-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 4-(diethoxyamino)benzoate?
ethyl 4-(diethoxyamino)benzoate has a molecular weight of 253.30 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethoxyamino)benzoate is sourced from PubChem (CID 22239273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).