[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate

C19H21NO5 — CID 9203446

IUPAC[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCc2ccccc2C)c1OC
InChIInChI=1S/C19H21NO5/c1-13-7-4-5-8-14(13)11-20-17(21)12-25-19(22)15-9-6-10-16(23-2)18(15)24-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyNIDSXXSSLJDZJD-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.49
Rot. Bonds7

About [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 9203446) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID9203446
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCc2ccccc2C)c1OC
InChIInChI=1S/C19H21NO5/c1-13-7-4-5-8-14(13)11-20-17(21)12-25-19(22)15-9-6-10-16(23-2)18(15)24-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyNIDSXXSSLJDZJD-UHFFFAOYSA-N
XLogP2.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 9343351
[2-(3-methylbutylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2528100
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethoxybenzoate
CID 7604433
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877888
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860420
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate (CID 9203446) is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc(C(=O)OCC(=O)NCc2ccccc2C)c1OC.
What is the InChIKey of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is NIDSXXSSLJDZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-7-4-5-8-14(13)11-20-17(21)12-25-19(22)15-9-6-10-16(23-2)18(15)24-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 9203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).