[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate

C19H21NO4 — CID 8536203

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H21NO4/c1-13-8-14(2)10-16(9-13)19(22)24-12-18(21)20-11-15-6-4-5-7-17(15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyAASLWIDHIZGRPX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate (PubChem CID 8536203) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
PubChem CID8536203
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H21NO4/c1-13-8-14(2)10-16(9-13)19(22)24-12-18(21)20-11-15-6-4-5-7-17(15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyAASLWIDHIZGRPX-UHFFFAOYSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877888
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2116021
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290680
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535069
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2116682

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate (CID 8536203) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate is COc1ccccc1CNC(=O)COC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The InChIKey is AASLWIDHIZGRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-8-14(2)10-16(9-13)19(22)24-12-18(21)20-11-15-6-4-5-7-17(15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate is sourced from PubChem (CID 8536203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).