[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

C20H19N3O5 — CID 55737807

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccn2)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C20H19N3O5/c24-18(23-12-11-22-20(23)26)14-28-19(25)9-6-15-4-7-17(8-5-15)27-13-16-3-1-2-10-21-16/h1-10H,11-14H2,(H,22,26)
InChIKeyUYYORVJKEKXHRE-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.77
Rot. Bonds7

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate (PubChem CID 55737807) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
PubChem CID55737807
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccn2)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C20H19N3O5/c24-18(23-12-11-22-20(23)26)14-28-19(25)9-6-15-4-7-17(8-5-15)27-13-16-3-1-2-10-21-16/h1-10H,11-14H2,(H,22,26)
InChIKeyUYYORVJKEKXHRE-UHFFFAOYSA-N
XLogP1.77
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55995079
[2-(methylamino)-2-oxoethyl] (Z)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 94392752
[2-(cyclopentylamino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737778
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 7997083
(2-fluorophenyl)methyl (Z)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 97357513
(4-methoxyphenyl)methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 98716837
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787148
[2-(2-benzylanilino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737806
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737572
(3-oxobenzo[f]chromen-1-yl)methyl 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737481
N,N-diethyl-4-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-sulfonamide
CID 55616048
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55995729

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate (CID 55737807) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate is O=C(C=Cc1ccc(OCc2ccccn2)cc1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
The InChIKey is UYYORVJKEKXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-18(23-12-11-22-20(23)26)14-28-19(25)9-6-15-4-7-17(8-5-15)27-13-16-3-1-2-10-21-16/h1-10H,11-14H2,(H,22,26).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate has a molecular weight of 381.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 55737807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).