[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate

C21H24N2O5 — CID 9015831

IUPAC[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCOCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-16(24)22-19-10-8-18(9-11-19)21(26)28-15-20(25)23(12-13-27-2)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyPZWGQJSWWFKICJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.48
Rot. Bonds9

About [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate

[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 9015831) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
PubChem CID9015831
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCOCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-16(24)22-19-10-8-18(9-11-19)21(26)28-15-20(25)23(12-13-27-2)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyPZWGQJSWWFKICJ-UHFFFAOYSA-N
XLogP2.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491157
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842609
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
CID 46554937
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8885961
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286296
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate (CID 9015831) is [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate is COCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is PZWGQJSWWFKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-16(24)22-19-10-8-18(9-11-19)21(26)28-15-20(25)23(12-13-27-2)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,22,24).
What are the key properties of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate?
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 9015831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).