CID 170976807

C21H34N2O — CID 170976807

IUPAC—
SMILESC/C(=N\NC(=O)C1CCCCCCCCCC1)C1=C[CH]C(C)[CH]C1
InChIInChI=1S/C21H34N2O/c1-17-13-15-19(16-14-17)18(2)22-23-21(24)20-11-9-7-5-3-4-6-8-10-12-20/h13-15,17,20H,3-12,16H2,1-2H3,(H,23,24)/b22-18+
InChIKeyBDCLVHJEPXLWNI-RELWKKBWSA-N
MW330.52 g/mol
LogP5.38
Rot. Bonds3

About CID 170976807

CID 170976807 (PubChem CID 170976807) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol.

Molecular Properties

Compound NameCID 170976807
PubChem CID170976807
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name—
SMILESC/C(=N\NC(=O)C1CCCCCCCCCC1)C1=C[CH]C(C)[CH]C1
InChIInChI=1S/C21H34N2O/c1-17-13-15-19(16-14-17)18(2)22-23-21(24)20-11-9-7-5-3-4-6-8-10-12-20/h13-15,17,20H,3-12,16H2,1-2H3,(H,23,24)/b22-18+
InChIKeyBDCLVHJEPXLWNI-RELWKKBWSA-N
XLogP5.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170976807?
The IUPAC name of CID 170976807 (CID 170976807) is not available.
What is the SMILES notation for CID 170976807?
The canonical SMILES for CID 170976807 is C/C(=N\NC(=O)C1CCCCCCCCCC1)C1=C[CH]C(C)[CH]C1.
What is the InChIKey of CID 170976807?
The InChIKey is BDCLVHJEPXLWNI-RELWKKBWSA-N. The full InChI is InChI=1S/C21H34N2O/c1-17-13-15-19(16-14-17)18(2)22-23-21(24)20-11-9-7-5-3-4-6-8-10-12-20/h13-15,17,20H,3-12,16H2,1-2H3,(H,23,24)/b22-18+.
What are the key properties of CID 170976807?
CID 170976807 has a molecular weight of 330.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170976807 is sourced from PubChem (CID 170976807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).