[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

C19H21NO4 — CID 2523281

IUPAC[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-17-10-7-15(8-11-17)9-12-19(22)24-14-18(21)20-13-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,20,21)
InChIKeyJPRBONCVUJWSPW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.49
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 2523281) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
PubChem CID2523281
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-17-10-7-15(8-11-17)9-12-19(22)24-14-18(21)20-13-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,20,21)
InChIKeyJPRBONCVUJWSPW-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (CID 2523281) is [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is JPRBONCVUJWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-17-10-7-15(8-11-17)9-12-19(22)24-14-18(21)20-13-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,20,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
[2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 327.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 2523281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).