[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate

C20H23NO5 — CID 7727298

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C20H23NO5/c1-14-7-5-6-8-15(14)12-21(2)19(22)13-26-20(23)16-9-17(24-3)11-18(10-16)25-4/h5-11H,12-13H2,1-4H3
InChIKeyDZHWRUPBNSPBDJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.83
Rot. Bonds7

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 7727298) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID7727298
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C20H23NO5/c1-14-7-5-6-8-15(14)12-21(2)19(22)13-26-20(23)16-9-17(24-3)11-18(10-16)25-4/h5-11H,12-13H2,1-4H3
InChIKeyDZHWRUPBNSPBDJ-UHFFFAOYSA-N
XLogP2.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18114048
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843353
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 16521886
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] benzoate
CID 55319343
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795799
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317876

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate (CID 7727298) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)N(C)Cc2ccccc2C)c1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is DZHWRUPBNSPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-7-5-6-8-15(14)12-21(2)19(22)13-26-20(23)16-9-17(24-3)11-18(10-16)25-4/h5-11H,12-13H2,1-4H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 7727298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).