CID 155348958

C19H29N5O4 — CID 155348958

IUPAC—
SMILESCn1nnc(NCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C19H29N5O4/c1-24-22-17(21-23-24)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,20,22)
InChIKeyYFJCCNKBRIOJMX-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.57
Rot. Bonds3

About CID 155348958

CID 155348958 (PubChem CID 155348958) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol.

Molecular Properties

Compound NameCID 155348958
PubChem CID155348958
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name—
SMILESCn1nnc(NCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C19H29N5O4/c1-24-22-17(21-23-24)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,20,22)
InChIKeyYFJCCNKBRIOJMX-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 155348958?
The IUPAC name of CID 155348958 (CID 155348958) is not available.
What is the SMILES notation for CID 155348958?
The canonical SMILES for CID 155348958 is Cn1nnc(NCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of CID 155348958?
The InChIKey is YFJCCNKBRIOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-24-22-17(21-23-24)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,20,22).
What are the key properties of CID 155348958?
CID 155348958 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 155348958 is sourced from PubChem (CID 155348958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).