ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate

C26H32ClNO3 — CID 142687295

IUPACethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate
SMILESCCOC(=O)C(CC)Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H32ClNO3/c1-3-21(26(29)30-4-2)19-20-5-11-25(12-6-20)31-18-17-28-15-13-23(14-16-28)22-7-9-24(27)10-8-22/h5-13,21H,3-4,14-19H2,1-2H3
InChIKeySWVMRJRCNHRRFX-UHFFFAOYSA-N
MW442.00 g/mol
LogP5.64
Rot. Bonds10

About ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate

ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate (PubChem CID 142687295) has the molecular formula C26H32ClNO3 and a molecular weight of 442.00 g/mol. Its IUPAC name is ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate
PubChem CID142687295
Molecular FormulaC26H32ClNO3
Molecular Weight442.00 g/mol
Exact Mass441.21
IUPAC Nameethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate
SMILESCCOC(=O)C(CC)Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H32ClNO3/c1-3-21(26(29)30-4-2)19-20-5-11-25(12-6-20)31-18-17-28-15-13-23(14-16-28)22-7-9-24(27)10-8-22/h5-13,21H,3-4,14-19H2,1-2H3
InChIKeySWVMRJRCNHRRFX-UHFFFAOYSA-N
XLogP5.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.00
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate with MolForge

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Related Compounds

(2S)-3-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 25104183
ethyl 3-[4-[2-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoate
CID 142687279
ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687402
ethyl 3-[4-[2-[4-(4-cyanophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoate
CID 142687317
ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687394
ethyl 2-ethoxy-3-[4-[2-[4-(6-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687350
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
(2,2,2-trifluoroacetyl) 3-[4-[4-[3-(4-chlorophenyl)propoxy]phenyl]-3,6-dihydro-2H-pyridin-1-yl]propaneperoxoate
CID 140542060
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 2-[[4-(2-aminoethoxy)phenyl]methyl]pentanoate
CID 18625895
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate?
The IUPAC name of ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate (CID 142687295) is ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate.
What is the SMILES notation for ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate?
The canonical SMILES for ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate is CCOC(=O)C(CC)Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate?
The InChIKey is SWVMRJRCNHRRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO3/c1-3-21(26(29)30-4-2)19-20-5-11-25(12-6-20)31-18-17-28-15-13-23(14-16-28)22-7-9-24(27)10-8-22/h5-13,21H,3-4,14-19H2,1-2H3.
What are the key properties of ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate?
ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate has a molecular weight of 442.00 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]methyl]butanoate is sourced from PubChem (CID 142687295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).