ethyl 2-(dipropoxyamino)benzoate

C15H23NO4 — CID 140996498

IUPACethyl 2-(dipropoxyamino)benzoate
SMILESCCCON(OCCC)c1ccccc1C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-4-11-19-16(20-12-5-2)14-10-8-7-9-13(14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeySIAHBUNCYATFSL-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.35
Rot. Bonds9

About ethyl 2-(dipropoxyamino)benzoate

ethyl 2-(dipropoxyamino)benzoate (PubChem CID 140996498) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-(dipropoxyamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(dipropoxyamino)benzoate
PubChem CID140996498
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-(dipropoxyamino)benzoate
SMILESCCCON(OCCC)c1ccccc1C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-4-11-19-16(20-12-5-2)14-10-8-7-9-13(14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeySIAHBUNCYATFSL-UHFFFAOYSA-N
XLogP3.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.35
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

azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71635482
propyl 2-methylbenzoate
CID 23432654
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
butylphosphane;diethyl benzene-1,2-dicarboxylate
CID 160516676
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dipropoxyamino)benzoate?
The IUPAC name of ethyl 2-(dipropoxyamino)benzoate (CID 140996498) is ethyl 2-(dipropoxyamino)benzoate.
What is the SMILES notation for ethyl 2-(dipropoxyamino)benzoate?
The canonical SMILES for ethyl 2-(dipropoxyamino)benzoate is CCCON(OCCC)c1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(dipropoxyamino)benzoate?
The InChIKey is SIAHBUNCYATFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-11-19-16(20-12-5-2)14-10-8-7-9-13(14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-(dipropoxyamino)benzoate?
ethyl 2-(dipropoxyamino)benzoate has a molecular weight of 281.35 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dipropoxyamino)benzoate is sourced from PubChem (CID 140996498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).