[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate

C20H22N2O5 — CID 7433764

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C20H22N2O5/c1-14(23)21-17-9-6-8-15(11-17)20(25)27-13-19(24)22(2)12-16-7-4-5-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyQNOORZNJQATBAE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.47
Rot. Bonds7

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 7433764) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
PubChem CID7433764
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C20H22N2O5/c1-14(23)21-17-9-6-8-15(11-17)20(25)27-13-19(24)22(2)12-16-7-4-5-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyQNOORZNJQATBAE-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 55357677
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842609
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648687
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
CID 55560836
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
ethyl 3-acetamidobenzoate
CID 700589
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7533456

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate (CID 7433764) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate is COc1ccccc1CN(C)C(=O)COC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is QNOORZNJQATBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)21-17-9-6-8-15(11-17)20(25)27-13-19(24)22(2)12-16-7-4-5-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 7433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).