Arterolane

C22H36N2O4 — CID 10475633

IUPAC—
SMILESCC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKeyVXYZBLXGCYNIHP-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.25
Rot. Bonds4

About Arterolane

Arterolane (PubChem CID 10475633) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol.

Molecular Properties

Compound NameArterolane
PubChem CID10475633
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name—
SMILESCC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKeyVXYZBLXGCYNIHP-UHFFFAOYSA-N
XLogP3.25
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Arterolane?
The IUPAC name of Arterolane (CID 10475633) is not available.
What is the SMILES notation for Arterolane?
The canonical SMILES for Arterolane is CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of Arterolane?
The InChIKey is VXYZBLXGCYNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25).
What are the key properties of Arterolane?
Arterolane has a molecular weight of 392.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Arterolane is sourced from PubChem (CID 10475633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).