(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

C19H19N3O3 — CID 46680617

IUPAC(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-4-2-3-14(13-17)5-10-18(23)21-15-6-8-16(9-7-15)22-12-11-20-19(22)24/h2-10,13H,11-12H2,1H3,(H,20,24)(H,21,23)/b10-5+
InChIKeyWIJPJRWCCHUDDH-BJMVGYQFSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 46680617) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
PubChem CID46680617
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-4-2-3-14(13-17)5-10-18(23)21-15-6-8-16(9-7-15)22-12-11-20-19(22)24/h2-10,13H,11-12H2,1H3,(H,20,24)(H,21,23)/b10-5+
InChIKeyWIJPJRWCCHUDDH-BJMVGYQFSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 134048303
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680665
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46525062
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70076895
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460082
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 34455096
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (CID 46680617) is (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is WIJPJRWCCHUDDH-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-4-2-3-14(13-17)5-10-18(23)21-15-6-8-16(9-7-15)22-12-11-20-19(22)24/h2-10,13H,11-12H2,1H3,(H,20,24)(H,21,23)/b10-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 46680617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).