3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione

C24H29N3O3 — CID 110597586

IUPAC3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccccc2OC)C1=O
InChIInChI=1S/C24H29N3O3/c1-5-16-27-23(28)21(19-10-8-9-11-20(19)30-4)22(24(27)29)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-15,25H,5-7,16H2,1-4H3
InChIKeyZOPGWYFHGVDHFT-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.14
Rot. Bonds9

About 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione

3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione (PubChem CID 110597586) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
PubChem CID110597586
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccccc2OC)C1=O
InChIInChI=1S/C24H29N3O3/c1-5-16-27-23(28)21(19-10-8-9-11-20(19)30-4)22(24(27)29)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-15,25H,5-7,16H2,1-4H3
InChIKeyZOPGWYFHGVDHFT-UHFFFAOYSA-N
XLogP4.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597587
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110597644
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110597505
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594584
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)anilino]-1-propylpyrrole-2,5-dione
CID 110596902
3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597837
1-ethyl-3-(2-methoxyphenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110597612
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110597544
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione (CID 110597586) is 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccccc2OC)C1=O.
What is the InChIKey of 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The InChIKey is ZOPGWYFHGVDHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-16-27-23(28)21(19-10-8-9-11-20(19)30-4)22(24(27)29)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-15,25H,5-7,16H2,1-4H3.
What are the key properties of 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione has a molecular weight of 407.51 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110597586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).