3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C24H29NO3 — CID 71575027

IUPAC3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(=C(C1)C(=O)OCCCC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChIInChI=1S/C24H29NO3/c1-3-25-16-15-22(20-9-5-4-6-10-20)23(18-25)24(26)28-17-7-8-19-11-13-21(27-2)14-12-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyZQHWFHCBXAHFCX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.40
Rot. Bonds9

About 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 71575027) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID71575027
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(=C(C1)C(=O)OCCCC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChIInChI=1S/C24H29NO3/c1-3-25-16-15-22(20-9-5-4-6-10-20)23(18-25)24(26)28-17-7-8-19-11-13-21(27-2)14-12-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyZQHWFHCBXAHFCX-UHFFFAOYSA-N
XLogP4.40
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity516

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 71575027) is 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(=C(C1)C(=O)OCCCC2=CC=C(C=C2)OC)C3=CC=CC=C3.
What is the InChIKey of 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is ZQHWFHCBXAHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-25-16-15-22(20-9-5-4-6-10-20)23(18-25)24(26)28-17-7-8-19-11-13-21(27-2)14-12-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 71575027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).