2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate

C15H24N2O4 — CID 115950843

IUPAC2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C15H24N2O4/c1-5-17(6-2)7-8-21-15(18)12-9-11(19-3)10-13(20-4)14(12)16/h9-10H,5-8,16H2,1-4H3
InChIKeyMJFHXRCBBDRNQO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.78
Rot. Bonds8

About 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate

2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate (PubChem CID 115950843) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
PubChem CID115950843
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C15H24N2O4/c1-5-17(6-2)7-8-21-15(18)12-9-11(19-3)10-13(20-4)14(12)16/h9-10H,5-8,16H2,1-4H3
InChIKeyMJFHXRCBBDRNQO-UHFFFAOYSA-N
XLogP1.78
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-(trifluoromethylsulfanyl)ethyl 2-amino-3,5-dimethoxybenzoate
CID 116617304
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate
CID 142700102
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
CID 115604510
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
(1-amino-1-oxobutan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115605847
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate (CID 115950843) is 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate is CCN(CC)CCOC(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The InChIKey is MJFHXRCBBDRNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-17(6-2)7-8-21-15(18)12-9-11(19-3)10-13(20-4)14(12)16/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate has a molecular weight of 296.37 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate is sourced from PubChem (CID 115950843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).