CID 162665521

C19H29N5O4 — CID 162665521

IUPAC—
SMILESCn1nnnc1NCC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29N5O4/c1-24-17(21-22-23-24)20-11-12-2-4-18(5-3-12)25-27-19(28-26-18)15-7-13-6-14(9-15)10-16(19)8-13/h12-16H,2-11H2,1H3,(H,20,21,23)
InChIKeyAQOFPXAMRRUXFZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.57
Rot. Bonds3

About CID 162665521

CID 162665521 (PubChem CID 162665521) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol.

Molecular Properties

Compound NameCID 162665521
PubChem CID162665521
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name—
SMILESCn1nnnc1NCC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29N5O4/c1-24-17(21-22-23-24)20-11-12-2-4-18(5-3-12)25-27-19(28-26-18)15-7-13-6-14(9-15)10-16(19)8-13/h12-16H,2-11H2,1H3,(H,20,21,23)
InChIKeyAQOFPXAMRRUXFZ-UHFFFAOYSA-N
XLogP2.57
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 162665521?
The IUPAC name of CID 162665521 (CID 162665521) is not available.
What is the SMILES notation for CID 162665521?
The canonical SMILES for CID 162665521 is Cn1nnnc1NCC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 162665521?
The InChIKey is AQOFPXAMRRUXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-24-17(21-22-23-24)20-11-12-2-4-18(5-3-12)25-27-19(28-26-18)15-7-13-6-14(9-15)10-16(19)8-13/h12-16H,2-11H2,1H3,(H,20,21,23).
What are the key properties of CID 162665521?
CID 162665521 has a molecular weight of 391.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162665521 is sourced from PubChem (CID 162665521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).