[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

C24H23NO5 — CID 4882715

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)c1
InChIInChI=1S/C24H23NO5/c1-29-20-12-13-21(22(26)14-20)24(28)30-17-23(27)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-17H2,1H3
InChIKeyNNEMMYLNIGNEHO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.79
Rot. Bonds8

About [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 4882715) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID4882715
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)c1
InChIInChI=1S/C24H23NO5/c1-29-20-12-13-21(22(26)14-20)24(28)30-17-23(27)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-17H2,1H3
InChIKeyNNEMMYLNIGNEHO-UHFFFAOYSA-N
XLogP3.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (CID 4882715) is [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)c1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is NNEMMYLNIGNEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-29-20-12-13-21(22(26)14-20)24(28)30-17-23(27)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-17H2,1H3.
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
[2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 4882715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).