3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

C22H22N2O3 — CID 110566383

IUPAC3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2OC)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C22H22N2O3/c1-4-14-24-21(25)19(17-12-8-9-13-18(17)27-3)20(22(24)26)23(2)15-16-10-6-5-7-11-16/h4-13H,1,14-15H2,2-3H3
InChIKeyVTZODTNGIXKOPO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds7

About 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110566383) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110566383
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2OC)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C22H22N2O3/c1-4-14-24-21(25)19(17-12-8-9-13-18(17)27-3)20(22(24)26)23(2)15-16-10-6-5-7-11-16/h4-13H,1,14-15H2,2-3H3
InChIKeyVTZODTNGIXKOPO-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110564516
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-[benzyl(methyl)amino]-4-(2,4-dichlorophenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110568509
3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566951
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567161
3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565401
3-[benzyl(methyl)amino]-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110560286
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597870
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565402
3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565774

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110566383) is 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccccc2OC)=C(N(C)Cc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is VTZODTNGIXKOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-14-24-21(25)19(17-12-8-9-13-18(17)27-3)20(22(24)26)23(2)15-16-10-6-5-7-11-16/h4-13H,1,14-15H2,2-3H3.
What are the key properties of 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110566383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).