CID 159132057

C18H30N2O3 — CID 159132057

IUPAC—
SMILESCNC1CC(NC)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O3/c1-19-15-8-16(20-2)10-17(9-15)21-18(23-22-17)13-4-11-3-12(6-13)7-14(18)5-11/h11-16,19-20H,3-10H2,1-2H3
InChIKeyXIDPFBPECRCPNM-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.17
Rot. Bonds2

About CID 159132057

CID 159132057 (PubChem CID 159132057) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol.

Molecular Properties

Compound NameCID 159132057
PubChem CID159132057
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name—
SMILESCNC1CC(NC)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O3/c1-19-15-8-16(20-2)10-17(9-15)21-18(23-22-17)13-4-11-3-12(6-13)7-14(18)5-11/h11-16,19-20H,3-10H2,1-2H3
InChIKeyXIDPFBPECRCPNM-UHFFFAOYSA-N
XLogP2.17
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.17
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 CID 159132057?
The IUPAC name of CID 159132057 (CID 159132057) is not available.
What is the SMILES notation for CID 159132057?
The canonical SMILES for CID 159132057 is CNC1CC(NC)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 159132057?
The InChIKey is XIDPFBPECRCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-19-15-8-16(20-2)10-17(9-15)21-18(23-22-17)13-4-11-3-12(6-13)7-14(18)5-11/h11-16,19-20H,3-10H2,1-2H3.
What are the key properties of CID 159132057?
CID 159132057 has a molecular weight of 322.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159132057 is sourced from PubChem (CID 159132057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).