CID 163952234

C14H29BN4O3 — CID 163952234

IUPAC—
SMILES[B]CC(NC(=O)N(C)C)C(C)COCC(C)NC(=O)N(C)C
InChIInChI=1S/C14H29BN4O3/c1-10(12(7-15)17-14(21)19(5)6)8-22-9-11(2)16-13(20)18(3)4/h10-12H,7-9H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyCESUHMCIXMRFKU-UHFFFAOYSA-N
MW312.22 g/mol
LogP0.53
Rot. Bonds8

About CID 163952234

CID 163952234 (PubChem CID 163952234) has the molecular formula C14H29BN4O3 and a molecular weight of 312.22 g/mol.

Molecular Properties

Compound NameCID 163952234
PubChem CID163952234
Molecular FormulaC14H29BN4O3
Molecular Weight312.22 g/mol
Exact Mass312.23
IUPAC Name—
SMILES[B]CC(NC(=O)N(C)C)C(C)COCC(C)NC(=O)N(C)C
InChIInChI=1S/C14H29BN4O3/c1-10(12(7-15)17-14(21)19(5)6)8-22-9-11(2)16-13(20)18(3)4/h10-12H,7-9H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyCESUHMCIXMRFKU-UHFFFAOYSA-N
XLogP0.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163952234?
The IUPAC name of CID 163952234 (CID 163952234) is not available.
What is the SMILES notation for CID 163952234?
The canonical SMILES for CID 163952234 is [B]CC(NC(=O)N(C)C)C(C)COCC(C)NC(=O)N(C)C.
What is the InChIKey of CID 163952234?
The InChIKey is CESUHMCIXMRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BN4O3/c1-10(12(7-15)17-14(21)19(5)6)8-22-9-11(2)16-13(20)18(3)4/h10-12H,7-9H2,1-6H3,(H,16,20)(H,17,21).
What are the key properties of CID 163952234?
CID 163952234 has a molecular weight of 312.22 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163952234 is sourced from PubChem (CID 163952234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).