(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate

C20H33NO6 — CID 139919274

IUPAC(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
SMILESCOCCN(CCOC)C(C(=O)Oc1c(OC)cc(C)cc1OC)C(C)C
InChIInChI=1S/C20H33NO6/c1-14(2)18(21(8-10-23-4)9-11-24-5)20(22)27-19-16(25-6)12-15(3)13-17(19)26-7/h12-14,18H,8-11H2,1-7H3
InChIKeyGWZBWCFVTWLAJZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.54
Rot. Bonds12

About (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate

(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate (PubChem CID 139919274) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
PubChem CID139919274
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
SMILESCOCCN(CCOC)C(C(=O)Oc1c(OC)cc(C)cc1OC)C(C)C
InChIInChI=1S/C20H33NO6/c1-14(2)18(21(8-10-23-4)9-11-24-5)20(22)27-19-16(25-6)12-15(3)13-17(19)26-7/h12-14,18H,8-11H2,1-7H3
InChIKeyGWZBWCFVTWLAJZ-UHFFFAOYSA-N
XLogP2.54
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-dimethoxy-4-methylphenyl) 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoate
CID 57246423
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-ethoxyethyl)amino]-4-methoxybutanoate
CID 91533219
(2,6-dimethoxy-4-methylphenyl) 2-bromo-3-methoxypropanoate
CID 91079302
2-[bis(2-methoxyethyl)amino]-3-(2,6-dimethoxy-4-methylphenyl)propanoic acid
CID 91394595
(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
CID 101146486
(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
CID 74069880
(2,6-dimethoxy-4-methylphenyl) 2-(3,6-dihydro-2H-pyridin-1-yl)butanoate
CID 11726931
(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
CID 90744198
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate
CID 11208352

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate (CID 139919274) is (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate is COCCN(CCOC)C(C(=O)Oc1c(OC)cc(C)cc1OC)C(C)C.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
The InChIKey is GWZBWCFVTWLAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-14(2)18(21(8-10-23-4)9-11-24-5)20(22)27-19-16(25-6)12-15(3)13-17(19)26-7/h12-14,18H,8-11H2,1-7H3.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate?
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate has a molecular weight of 383.49 g/mol, XLogP of 2.54, 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]-3-methylbutanoate is sourced from PubChem (CID 139919274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).