ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate

C22H25NO4 — CID 54463254

IUPACethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccc(OC)c(OC2CCCC2)c1)c1ccncc1
InChIInChI=1S/C22H25NO4/c1-3-26-22(24)19(17-10-12-23-13-11-17)14-16-8-9-20(25-2)21(15-16)27-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3
InChIKeyXDBVFCJEBQERSJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.52
Rot. Bonds7

About ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate

ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate (PubChem CID 54463254) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
PubChem CID54463254
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccc(OC)c(OC2CCCC2)c1)c1ccncc1
InChIInChI=1S/C22H25NO4/c1-3-26-22(24)19(17-10-12-23-13-11-17)14-16-8-9-20(25-2)21(15-16)27-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3
InChIKeyXDBVFCJEBQERSJ-UHFFFAOYSA-N
XLogP4.52
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(1R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-pyridin-4-ylprop-2-en-1-one
CID 54411820
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 142654604
4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
CID 85045270
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate (CID 54463254) is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate is CCOC(=O)C(=Cc1ccc(OC)c(OC2CCCC2)c1)c1ccncc1.
What is the InChIKey of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The InChIKey is XDBVFCJEBQERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-26-22(24)19(17-10-12-23-13-11-17)14-16-8-9-20(25-2)21(15-16)27-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate has a molecular weight of 367.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 54463254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).