3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione

C24H26N2O3 — CID 110551560

IUPAC3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OCC(C)C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-5-15-26-23(27)21(18-11-13-20(14-12-18)29-16-17(2)3)22(24(26)28)25(4)19-9-7-6-8-10-19/h5-14,17H,1,15-16H2,2-4H3
InChIKeyHCZXCVCDEXRFJB-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.12
Rot. Bonds8

About 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione

3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110551560) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110551560
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OCC(C)C)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-5-15-26-23(27)21(18-11-13-20(14-12-18)29-16-17(2)3)22(24(26)28)25(4)19-9-7-6-8-10-19/h5-14,17H,1,15-16H2,2-4H3
InChIKeyHCZXCVCDEXRFJB-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.12
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-chloro-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110582528
3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110575592
3-ethylsulfanyl-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110551565
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556828
3-(N-methylanilino)-1-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575529
3-[ethyl(2-pyridin-4-ylethyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110551554
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551433
3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560065
3-(3,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110590180
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110546523
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
3-[benzyl(ethyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110551216

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione (CID 110551560) is 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(OCC(C)C)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is HCZXCVCDEXRFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-5-15-26-23(27)21(18-11-13-20(14-12-18)29-16-17(2)3)22(24(26)28)25(4)19-9-7-6-8-10-19/h5-14,17H,1,15-16H2,2-4H3.
What are the key properties of 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione?
3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110551560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).