CID 164983630

C19H29BN6O2 — CID 164983630

IUPAC—
SMILES[B]CN1CCC(N2CCC(n3ccc(NC4CCC(=O)NC4=O)n3)CC2)CC1
InChIInChI=1S/C19H29BN6O2/c20-13-24-8-3-14(4-9-24)25-10-5-15(6-11-25)26-12-7-17(23-26)21-16-1-2-18(27)22-19(16)28/h7,12,14-16H,1-6,8-11,13H2,(H,21,23)(H,22,27,28)
InChIKeyIWXYLBHWGIPXTJ-UHFFFAOYSA-N
MW384.29 g/mol
LogP0.33
Rot. Bonds5

About CID 164983630

CID 164983630 (PubChem CID 164983630) has the molecular formula C19H29BN6O2 and a molecular weight of 384.29 g/mol.

Molecular Properties

Compound NameCID 164983630
PubChem CID164983630
Molecular FormulaC19H29BN6O2
Molecular Weight384.29 g/mol
Exact Mass384.24
IUPAC Name—
SMILES[B]CN1CCC(N2CCC(n3ccc(NC4CCC(=O)NC4=O)n3)CC2)CC1
InChIInChI=1S/C19H29BN6O2/c20-13-24-8-3-14(4-9-24)25-10-5-15(6-11-25)26-12-7-17(23-26)21-16-1-2-18(27)22-19(16)28/h7,12,14-16H,1-6,8-11,13H2,(H,21,23)(H,22,27,28)
InChIKeyIWXYLBHWGIPXTJ-UHFFFAOYSA-N
XLogP0.33
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164983630?
The IUPAC name of CID 164983630 (CID 164983630) is not available.
What is the SMILES notation for CID 164983630?
The canonical SMILES for CID 164983630 is [B]CN1CCC(N2CCC(n3ccc(NC4CCC(=O)NC4=O)n3)CC2)CC1.
What is the InChIKey of CID 164983630?
The InChIKey is IWXYLBHWGIPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BN6O2/c20-13-24-8-3-14(4-9-24)25-10-5-15(6-11-25)26-12-7-17(23-26)21-16-1-2-18(27)22-19(16)28/h7,12,14-16H,1-6,8-11,13H2,(H,21,23)(H,22,27,28).
What are the key properties of CID 164983630?
CID 164983630 has a molecular weight of 384.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164983630 is sourced from PubChem (CID 164983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).