decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

C24H37NO2 — CID 10547222

IUPACdecyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1
InChIInChI=1S/C24H37NO2/c1-3-5-6-7-8-9-10-14-19-27-24(26)23-20-25(4-2)18-17-22(23)21-15-12-11-13-16-21/h11-13,15-17,23H,3-10,14,18-20H2,1-2H3
InChIKeyRNRYJWQFMOEPCM-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.71
Rot. Bonds12

About decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (PubChem CID 10547222) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namedecyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
PubChem CID10547222
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Namedecyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1
InChIInChI=1S/C24H37NO2/c1-3-5-6-7-8-9-10-14-19-27-24(26)23-20-25(4-2)18-17-22(23)21-15-12-11-13-16-21/h11-13,15-17,23H,3-10,14,18-20H2,1-2H3
InChIKeyRNRYJWQFMOEPCM-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (CID 10547222) is decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1.
What is the InChIKey of decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is RNRYJWQFMOEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-3-5-6-7-8-9-10-14-19-27-24(26)23-20-25(4-2)18-17-22(23)21-15-12-11-13-16-21/h11-13,15-17,23H,3-10,14,18-20H2,1-2H3.
What are the key properties of decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 371.57 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 10547222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).