(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate

C19H31NO6 — CID 101146490

IUPAC(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
SMILESCOCCN(CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C
InChIInChI=1S/C19H31NO6/c1-14(2)17(20(10-12-22-3)11-13-23-4)19(21)26-18-15(24-5)8-7-9-16(18)25-6/h7-9,14,17H,10-13H2,1-6H3/t17-/m1/s1
InChIKeyATLKGHGKNJZFIM-QGZVFWFLSA-N
MW369.46 g/mol
LogP2.23
Rot. Bonds12

About (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate

(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate (PubChem CID 101146490) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
PubChem CID101146490
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
SMILESCOCCN(CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C
InChIInChI=1S/C19H31NO6/c1-14(2)17(20(10-12-22-3)11-13-23-4)19(21)26-18-15(24-5)8-7-9-16(18)25-6/h7-9,14,17H,10-13H2,1-6H3/t17-/m1/s1
InChIKeyATLKGHGKNJZFIM-QGZVFWFLSA-N
XLogP2.23
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The IUPAC name of (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate (CID 101146490) is (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate.
What is the SMILES notation for (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The canonical SMILES for (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate is COCCN(CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C.
What is the InChIKey of (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The InChIKey is ATLKGHGKNJZFIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31NO6/c1-14(2)17(20(10-12-22-3)11-13-23-4)19(21)26-18-15(24-5)8-7-9-16(18)25-6/h7-9,14,17H,10-13H2,1-6H3/t17-/m1/s1.
What are the key properties of (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate has a molecular weight of 369.46 g/mol, XLogP of 2.23, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate is sourced from PubChem (CID 101146490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).