ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

C22H25NO3 — CID 54281672

IUPACethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C2CCCC2)c1OCc1ccccn1
InChIInChI=1S/C22H25NO3/c1-2-25-21(24)14-13-18-10-7-12-20(17-8-3-4-9-17)22(18)26-16-19-11-5-6-15-23-19/h5-7,10-15,17H,2-4,8-9,16H2,1H3
InChIKeyRRFAMVKTDLMEHW-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.89
Rot. Bonds7

About ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate (PubChem CID 54281672) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
PubChem CID54281672
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C2CCCC2)c1OCc1ccccn1
InChIInChI=1S/C22H25NO3/c1-2-25-21(24)14-13-18-10-7-12-20(17-8-3-4-9-17)22(18)26-16-19-11-5-6-15-23-19/h5-7,10-15,17H,2-4,8-9,16H2,1H3
InChIKeyRRFAMVKTDLMEHW-UHFFFAOYSA-N
XLogP4.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769586
methyl 3-(3-cyclopentyl-2-dodecoxyphenyl)prop-2-enoate
CID 54085245
3-(3-cyclopentyl-2-pentoxyphenyl)prop-2-enoic acid
CID 54515569
(E)-3-[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 115956988
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
[4-(pyridin-2-ylmethoxy)phenyl]methyl (E)-3-(4-methyl-3-pyridinyl)prop-2-enoate
CID 167814876
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
[2-(cyclopentylamino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737778
ethyl (E)-3-(3-methylisoquinolin-5-yl)prop-2-enoate
CID 82579894
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate (CID 54281672) is ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1cccc(C2CCCC2)c1OCc1ccccn1.
What is the InChIKey of ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The InChIKey is RRFAMVKTDLMEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-25-21(24)14-13-18-10-7-12-20(17-8-3-4-9-17)22(18)26-16-19-11-5-6-15-23-19/h5-7,10-15,17H,2-4,8-9,16H2,1H3.
What are the key properties of ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate has a molecular weight of 351.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 54281672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).