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

C17H23NO4 — CID 2432953

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NC1CCCCCCC1
InChIInChI=1S/C17H23NO4/c19-15-10-8-13(9-11-15)17(21)22-12-16(20)18-14-6-4-2-1-3-5-7-14/h8-11,14,19H,1-7,12H2,(H,18,20)
InChIKeyNOBNDEGGLZMFLF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.78
Rot. Bonds4

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

[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2432953) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2432953
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NC1CCCCCCC1
InChIInChI=1S/C17H23NO4/c19-15-10-8-13(9-11-15)17(21)22-12-16(20)18-14-6-4-2-1-3-5-7-14/h8-11,14,19H,1-7,12H2,(H,18,20)
InChIKeyNOBNDEGGLZMFLF-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-(cyclohexylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744492
[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate (CID 2432953) is [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is NOBNDEGGLZMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-15-10-8-13(9-11-15)17(21)22-12-16(20)18-14-6-4-2-1-3-5-7-14/h8-11,14,19H,1-7,12H2,(H,18,20).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 305.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2432953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).