[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate

C24H23NO5 — CID 7949391

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H23NO5/c1-28-22-14-8-6-9-18(22)15-25-23(26)17-30-24(27)21-13-7-5-10-19(21)16-29-20-11-3-2-4-12-20/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeySKHAHKQLPRVHJS-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.75
Rot. Bonds9

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate (PubChem CID 7949391) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
PubChem CID7949391
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H23NO5/c1-28-22-14-8-6-9-18(22)15-25-23(26)17-30-24(27)21-13-7-5-10-19(21)16-29-20-11-3-2-4-12-20/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeySKHAHKQLPRVHJS-UHFFFAOYSA-N
XLogP3.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877888
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203446
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate (CID 7949391) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate is COc1ccccc1CNC(=O)COC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is SKHAHKQLPRVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-22-14-8-6-9-18(22)15-25-23(26)17-30-24(27)21-13-7-5-10-19(21)16-29-20-11-3-2-4-12-20/h2-14H,15-17H2,1H3,(H,25,26).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 405.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7949391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).