CID 142199694

C18H28N2O4 — CID 142199694

IUPAC—
SMILESCN(C)C(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)C1C3
InChIInChI=1S/C18H28N2O4/c1-20(2)16(21)19-14-3-5-17(6-4-14)22-18(24-23-17)13-8-11-7-12(10-13)15(18)9-11/h11-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyAUOZFVKHRXLMCX-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.64
Rot. Bonds1

About CID 142199694

CID 142199694 (PubChem CID 142199694) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol.

Molecular Properties

Compound NameCID 142199694
PubChem CID142199694
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name—
SMILESCN(C)C(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)C1C3
InChIInChI=1S/C18H28N2O4/c1-20(2)16(21)19-14-3-5-17(6-4-14)22-18(24-23-17)13-8-11-7-12(10-13)15(18)9-11/h11-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyAUOZFVKHRXLMCX-UHFFFAOYSA-N
XLogP2.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 142199694?
The IUPAC name of CID 142199694 (CID 142199694) is not available.
What is the SMILES notation for CID 142199694?
The canonical SMILES for CID 142199694 is CN(C)C(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)C1C3.
What is the InChIKey of CID 142199694?
The InChIKey is AUOZFVKHRXLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(2)16(21)19-14-3-5-17(6-4-14)22-18(24-23-17)13-8-11-7-12(10-13)15(18)9-11/h11-15H,3-10H2,1-2H3,(H,19,21).
What are the key properties of CID 142199694?
CID 142199694 has a molecular weight of 336.43 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142199694 is sourced from PubChem (CID 142199694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).