CID 168906029

C20H29FNO — CID 168906029

IUPAC—
SMILES[CH2]C/C(=C/C=C)C(=C(C)C)/C(=N/C)C(CC)CCC(=O)C(=C)F
InChIInChI=1S/C20H29FNO/c1-8-11-16(9-2)19(14(4)5)20(22-7)17(10-3)12-13-18(23)15(6)21/h8,11,17H,1-2,6,9-10,12-13H2,3-5,7H3/b16-11-,22-20+
InChIKeyNVQIWJLPUPPVCW-FTPGLHQHSA-N
MW318.46 g/mol
LogP5.59
Rot. Bonds10

About CID 168906029

CID 168906029 (PubChem CID 168906029) has the molecular formula C20H29FNO and a molecular weight of 318.46 g/mol.

Molecular Properties

Compound NameCID 168906029
PubChem CID168906029
Molecular FormulaC20H29FNO
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name—
SMILES[CH2]C/C(=C/C=C)C(=C(C)C)/C(=N/C)C(CC)CCC(=O)C(=C)F
InChIInChI=1S/C20H29FNO/c1-8-11-16(9-2)19(14(4)5)20(22-7)17(10-3)12-13-18(23)15(6)21/h8,11,17H,1-2,6,9-10,12-13H2,3-5,7H3/b16-11-,22-20+
InChIKeyNVQIWJLPUPPVCW-FTPGLHQHSA-N
XLogP5.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 168906029?
The IUPAC name of CID 168906029 (CID 168906029) is not available.
What is the SMILES notation for CID 168906029?
The canonical SMILES for CID 168906029 is [CH2]C/C(=C/C=C)C(=C(C)C)/C(=N/C)C(CC)CCC(=O)C(=C)F.
What is the InChIKey of CID 168906029?
The InChIKey is NVQIWJLPUPPVCW-FTPGLHQHSA-N. The full InChI is InChI=1S/C20H29FNO/c1-8-11-16(9-2)19(14(4)5)20(22-7)17(10-3)12-13-18(23)15(6)21/h8,11,17H,1-2,6,9-10,12-13H2,3-5,7H3/b16-11-,22-20+.
What are the key properties of CID 168906029?
CID 168906029 has a molecular weight of 318.46 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168906029 is sourced from PubChem (CID 168906029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).