(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate

C19H31NO5 — CID 57246423

IUPAC(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate
SMILESCOCCN(C)C(CC(C)C)C(=O)Oc1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H31NO5/c1-13(2)10-15(20(4)8-9-22-5)19(21)25-18-16(23-6)11-14(3)12-17(18)24-7/h11-13,15H,8-10H2,1-7H3
InChIKeyFHJSMMINOSVKLF-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.91
Rot. Bonds10

About (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate

(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate (PubChem CID 57246423) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate
PubChem CID57246423
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate
SMILESCOCCN(C)C(CC(C)C)C(=O)Oc1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H31NO5/c1-13(2)10-15(20(4)8-9-22-5)19(21)25-18-16(23-6)11-14(3)12-17(18)24-7/h11-13,15H,8-10H2,1-7H3
InChIKeyFHJSMMINOSVKLF-UHFFFAOYSA-N
XLogP2.91
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-methoxyethyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate (CID 57246423) is (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate is COCCN(C)C(CC(C)C)C(=O)Oc1c(OC)cc(C)cc1OC.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate?
The InChIKey is FHJSMMINOSVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5/c1-13(2)10-15(20(4)8-9-22-5)19(21)25-18-16(23-6)11-14(3)12-17(18)24-7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate?
(2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate has a molecular weight of 353.46 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 57246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).