[2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate

C21H29NO4 — CID 2387851

IUPAC[2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H29NO4/c23-19-13-11-16(12-14-19)21(25)26-15-20(24)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18,23H,1-10,15H2
InChIKeyOFXLTFLSYOUBTP-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.04
Rot. Bonds5

About [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate

[2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2387851) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2387851
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name[2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H29NO4/c23-19-13-11-16(12-14-19)21(25)26-15-20(24)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18,23H,1-10,15H2
InChIKeyOFXLTFLSYOUBTP-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] 4-hydroxybenzoate?
The IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate (CID 2387851) is [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate is O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is OFXLTFLSYOUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c23-19-13-11-16(12-14-19)21(25)26-15-20(24)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18,23H,1-10,15H2.
What are the key properties of [2-(dicyclohexylamino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(dicyclohexylamino)-2-oxoethyl] 4-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] 4-hydroxybenzoate is sourced from PubChem (CID 2387851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).