3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate

C14H22N2O3 — CID 114526455

IUPAC3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCCCN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-4-18-13-9-11(8-12(15)10-13)14(17)19-7-5-6-16(2)3/h8-10H,4-7,15H2,1-3H3
InChIKeyXQONZSCTNZEYQE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds7

About 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate

3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate (PubChem CID 114526455) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
PubChem CID114526455
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCCCN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-4-18-13-9-11(8-12(15)10-13)14(17)19-7-5-6-16(2)3/h8-10H,4-7,15H2,1-3H3
InChIKeyXQONZSCTNZEYQE-UHFFFAOYSA-N
XLogP1.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

3-ethylsulfonylpropyl 3-amino-5-ethoxybenzoate
CID 81095162
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
3-methylbutyl 3-amino-5-ethoxybenzoate
CID 81091232
2-cyclopropylethyl 3-amino-5-ethoxybenzoate
CID 81092437
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-(trifluoromethoxy)ethyl 3-amino-5-ethoxybenzoate
CID 81091591
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
CID 81091355
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
3-(dimethylamino)propyl 3-aminobenzoate
CID 114526412
(2-ethoxy-2-oxoethyl) 3-amino-5-ethoxybenzoate
CID 81092527
3-(dimethylamino)propyl 3,5-dihydroxybenzoate
CID 178080897

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate?
The IUPAC name of 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate (CID 114526455) is 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate.
What is the SMILES notation for 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate?
The canonical SMILES for 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate is CCOc1cc(N)cc(C(=O)OCCCN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate?
The InChIKey is XQONZSCTNZEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-18-13-9-11(8-12(15)10-13)14(17)19-7-5-6-16(2)3/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate?
3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate is sourced from PubChem (CID 114526455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).