[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

C20H22N2O5 — CID 7777347

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-22(4-2)19(25)14-5-9-16(10-6-14)21-18(24)13-27-20(26)15-7-11-17(23)12-8-15/h5-12,23H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyYCHSKZPNFFYRPU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.67
Rot. Bonds7

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 7777347) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID7777347
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-22(4-2)19(25)14-5-9-16(10-6-14)21-18(24)13-27-20(26)15-7-11-17(23)12-8-15/h5-12,23H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyYCHSKZPNFFYRPU-UHFFFAOYSA-N
XLogP2.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
4-O-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851851
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (CID 7777347) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is YCHSKZPNFFYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-22(4-2)19(25)14-5-9-16(10-6-14)21-18(24)13-27-20(26)15-7-11-17(23)12-8-15/h5-12,23H,3-4,13H2,1-2H3,(H,21,24).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 7777347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).