[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate

C21H29NO4 — CID 2424311

IUPAC[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C21H29NO4/c23-19-14-8-7-13-18(19)21(25)26-15-20(24)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h7-8,13-14,16-17,23H,1-6,9-12,15H2
InChIKeyLCLKPVNQNSQFRE-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.04
Rot. Bonds5

About [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate

[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2424311) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2424311
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C21H29NO4/c23-19-14-8-7-13-18(19)21(25)26-15-20(24)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h7-8,13-14,16-17,23H,1-6,9-12,15H2
InChIKeyLCLKPVNQNSQFRE-UHFFFAOYSA-N
XLogP4.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 2424311) is [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1O.
What is the InChIKey of [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is LCLKPVNQNSQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c23-19-14-8-7-13-18(19)21(25)26-15-20(24)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h7-8,13-14,16-17,23H,1-6,9-12,15H2.
What are the key properties of [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 359.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclohexylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).