(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate

C19H31NO6 — CID 11036024

IUPAC(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate
SMILESCCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC
InChIInChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3
InChIKeyGKRFHHRXDUACIN-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.29
Rot. Bonds12

About (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate

(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate (PubChem CID 11036024) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate
PubChem CID11036024
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate
SMILESCCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC
InChIInChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3
InChIKeyGKRFHHRXDUACIN-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate (CID 11036024) is (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate is CCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate?
The InChIKey is GKRFHHRXDUACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate?
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate has a molecular weight of 369.46 g/mol, XLogP of 2.29, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]butanoate is sourced from PubChem (CID 11036024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).