[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C18H25NO4 — CID 2578328

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1O
InChIInChI=1S/C18H25NO4/c1-13-8-7-11-15(17(13)21)18(22)23-12-16(20)19-14-9-5-3-2-4-6-10-14/h7-8,11,14,21H,2-6,9-10,12H2,1H3,(H,19,20)
InChIKeyXQWOVVOBZDPQSV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.09
Rot. Bonds4

About [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578328) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578328
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1O
InChIInChI=1S/C18H25NO4/c1-13-8-7-11-15(17(13)21)18(22)23-12-16(20)19-14-9-5-3-2-4-6-10-14/h7-8,11,14,21H,2-6,9-10,12H2,1H3,(H,19,20)
InChIKeyXQWOVVOBZDPQSV-UHFFFAOYSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407623
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 2578012
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578328) is [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1O.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is XQWOVVOBZDPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-8-7-11-15(17(13)21)18(22)23-12-16(20)19-14-9-5-3-2-4-6-10-14/h7-8,11,14,21H,2-6,9-10,12H2,1H3,(H,19,20).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 319.40 g/mol, XLogP of 3.09, 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] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).