[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C19H24Cl2N2O4 — CID 24981562

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCCCC1
InChIInChI=1S/C19H24Cl2N2O4/c20-13-8-9-15(16(21)10-13)19(26)22-11-18(25)27-12-17(24)23-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,11-12H2,(H,22,26)(H,23,24)
InChIKeyUXPNPMYMARBJIQ-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.50
Rot. Bonds6

About [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 24981562) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID24981562
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCCCC1
InChIInChI=1S/C19H24Cl2N2O4/c20-13-8-9-15(16(21)10-13)19(26)22-11-18(25)27-12-17(24)23-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,11-12H2,(H,22,26)(H,23,24)
InChIKeyUXPNPMYMARBJIQ-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 24981562) is [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is UXPNPMYMARBJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c20-13-8-9-15(16(21)10-13)19(26)22-11-18(25)27-12-17(24)23-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,11-12H2,(H,22,26)(H,23,24).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 415.32 g/mol, XLogP of 3.50, 6 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-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 24981562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).