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(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1
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
LogP4.35
Rot. Bonds8

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(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1
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
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
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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Related Compounds

2-(4-methylsulfonylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575121
1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 71575334
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
methyl 1-ethyl-4-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 14182227
ethyl 1-benzyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691520
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
2-O-butyl 6-O-(3-phenylpropyl) pyridine-2,6-dicarboxylate
CID 91710089
butyl 6-methoxy-3-phenyl-1H-indene-2-carboxylate
CID 11324732
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

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(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1.
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 4.35, 8 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).