[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

C20H23NO5 — CID 7441971

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C20H23NO5/c1-4-13-7-6-8-14(5-2)19(13)21-18(23)12-26-20(24)16-11-15(25-3)9-10-17(16)22/h6-11,22H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyPJXNWIZYDFUUKO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.32
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (PubChem CID 7441971) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
PubChem CID7441971
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C20H23NO5/c1-4-13-7-6-8-14(5-2)19(13)21-18(23)12-26-20(24)16-11-15(25-3)9-10-17(16)22/h6-11,22H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyPJXNWIZYDFUUKO-UHFFFAOYSA-N
XLogP3.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18085533
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471451
N-(2,6-diethylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43824721
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7404874
[2-(2,6-diethylanilino)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949588
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837716
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796481
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (CID 7441971) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)ccc1O.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The InChIKey is PJXNWIZYDFUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-13-7-6-8-14(5-2)19(13)21-18(23)12-26-20(24)16-11-15(25-3)9-10-17(16)22/h6-11,22H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 7441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).