CID 155518191

C19H29N5O3 — CID 155518191

IUPAC—
SMILESCn1nnc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C19H29N5O3/c1-24-22-17(21-23-24)20-11-12-2-4-18(5-3-12)25-19(27-26-18)15-7-13-6-14(9-15)10-16(19)8-13/h12-16H,2-11H2,1H3,(H,20,22)
InChIKeyWNOBXZCVHKBBRW-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.64
Rot. Bonds3

About CID 155518191

CID 155518191 (PubChem CID 155518191) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol.

Molecular Properties

Compound NameCID 155518191
PubChem CID155518191
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name—
SMILESCn1nnc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C19H29N5O3/c1-24-22-17(21-23-24)20-11-12-2-4-18(5-3-12)25-19(27-26-18)15-7-13-6-14(9-15)10-16(19)8-13/h12-16H,2-11H2,1H3,(H,20,22)
InChIKeyWNOBXZCVHKBBRW-UHFFFAOYSA-N
XLogP2.64
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 162665521
CID 162665521
CID 162674858
CID 162674858
CID 155348940
CID 155348940
CID 155348958
CID 155348958

Frequently Asked Questions

What is the IUPAC name of CID 155518191?
The IUPAC name of CID 155518191 (CID 155518191) is not available.
What is the SMILES notation for CID 155518191?
The canonical SMILES for CID 155518191 is Cn1nnc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of CID 155518191?
The InChIKey is WNOBXZCVHKBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-24-22-17(21-23-24)20-11-12-2-4-18(5-3-12)25-19(27-26-18)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 155518191?
CID 155518191 has a molecular weight of 375.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155518191 is sourced from PubChem (CID 155518191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).