(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride

C15H24ClNO4 — CID 74069880

IUPAC(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)C(C)C(=O)Oc1c(OC)cccc1OC.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-6-16(7-2)11(3)15(17)20-14-12(18-4)9-8-10-13(14)19-5;/h8-11H,6-7H2,1-5H3;1H
InChIKeyKKCHUHXVGGNXFE-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.76
Rot. Bonds7

About (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride

(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride (PubChem CID 74069880) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
PubChem CID74069880
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)C(C)C(=O)Oc1c(OC)cccc1OC.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-6-16(7-2)11(3)15(17)20-14-12(18-4)9-8-10-13(14)19-5;/h8-11H,6-7H2,1-5H3;1H
InChIKeyKKCHUHXVGGNXFE-UHFFFAOYSA-N
XLogP2.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 101146490
(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
CID 57296418
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
[2-(2-amino-3-methylbutanoyl)oxy-3-methoxyphenyl] 2-amino-3-methylbutanoate
CID 175864999
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2,6-dimethoxyphenyl) (2R)-2-bromohexanoate
CID 129365299
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
4-O-(2,6-dimethoxyphenyl) 1-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91721494
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride?
The IUPAC name of (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride (CID 74069880) is (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride is CCN(CC)C(C)C(=O)Oc1c(OC)cccc1OC.Cl.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride?
The InChIKey is KKCHUHXVGGNXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4.ClH/c1-6-16(7-2)11(3)15(17)20-14-12(18-4)9-8-10-13(14)19-5;/h8-11H,6-7H2,1-5H3;1H.
What are the key properties of (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride?
(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride has a molecular weight of 317.81 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride is sourced from PubChem (CID 74069880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).