3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione

C19H26N2O4 — CID 110565774

IUPAC3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2OC)=C(N(C)CCO)C1=O
InChIInChI=1S/C19H26N2O4/c1-4-5-8-11-21-18(23)16(14-9-6-7-10-15(14)25-3)17(19(21)24)20(2)12-13-22/h6-7,9-10,22H,4-5,8,11-13H2,1-3H3
InChIKeyXAFJXCKCCLPTCQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.89
Rot. Bonds9

About 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione

3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione (PubChem CID 110565774) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
PubChem CID110565774
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2OC)=C(N(C)CCO)C1=O
InChIInChI=1S/C19H26N2O4/c1-4-5-8-11-21-18(23)16(14-9-6-7-10-15(14)25-3)17(19(21)24)20(2)12-13-22/h6-7,9-10,22H,4-5,8,11-13H2,1-3H3
InChIKeyXAFJXCKCCLPTCQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565401
3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566335
3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-octylpyrrole-2,5-dione
CID 110566529
1-(3-butoxypropyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566422
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-[2-hydroxyethyl(methyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-pentylpyrrole-2,5-dione
CID 110551156
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566420
1-(3,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567740
3-(2-methoxyphenyl)-1-octyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566520
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
1-butyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110565822

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione (CID 110565774) is 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione is CCCCCN1C(=O)C(c2ccccc2OC)=C(N(C)CCO)C1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione?
The InChIKey is XAFJXCKCCLPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-5-8-11-21-18(23)16(14-9-6-7-10-15(14)25-3)17(19(21)24)20(2)12-13-22/h6-7,9-10,22H,4-5,8,11-13H2,1-3H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione?
3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione has a molecular weight of 346.43 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 110565774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).