CID 162674858

C19H29N5O3 — CID 162674858

IUPAC—
SMILESCn1nnnc1NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29N5O3/c1-24-17(21-22-23-24)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,20,21,23)
InChIKeyHNLQTALVHYZIOM-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.64
Rot. Bonds3

About CID 162674858

CID 162674858 (PubChem CID 162674858) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol.

Molecular Properties

Compound NameCID 162674858
PubChem CID162674858
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name—
SMILESCn1nnnc1NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29N5O3/c1-24-17(21-22-23-24)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,20,21,23)
InChIKeyHNLQTALVHYZIOM-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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Frequently Asked Questions

What is the IUPAC name of CID 162674858?
The IUPAC name of CID 162674858 (CID 162674858) is not available.
What is the SMILES notation for CID 162674858?
The canonical SMILES for CID 162674858 is Cn1nnnc1NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 162674858?
The InChIKey is HNLQTALVHYZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-24-17(21-22-23-24)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,20,21,23).
What are the key properties of CID 162674858?
CID 162674858 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 162674858 is sourced from PubChem (CID 162674858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).