[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

C17H23NO5 — CID 2536846

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC1CCCCCCC1
InChIInChI=1S/C17H23NO5/c19-13-8-9-14(15(20)10-13)17(22)23-11-16(21)18-12-6-4-2-1-3-5-7-12/h8-10,12,19-20H,1-7,11H2,(H,18,21)
InChIKeySJQTYMBULGXVJK-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.48
Rot. Bonds4

About [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2536846) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2536846
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC1CCCCCCC1
InChIInChI=1S/C17H23NO5/c19-13-8-9-14(15(20)10-13)17(22)23-11-16(21)18-12-6-4-2-1-3-5-7-12/h8-10,12,19-20H,1-7,11H2,(H,18,21)
InChIKeySJQTYMBULGXVJK-UHFFFAOYSA-N
XLogP2.48
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 11926244
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2536846) is [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is SJQTYMBULGXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c19-13-8-9-14(15(20)10-13)17(22)23-11-16(21)18-12-6-4-2-1-3-5-7-12/h8-10,12,19-20H,1-7,11H2,(H,18,21).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 321.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2536846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).