2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

C22H32N2O4 — CID 43859915

IUPAC2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C22H32N2O4/c1-6-23(7-2)17-10-8-16(9-11-17)20-19(18(25)14-15(3)4)21(26)22(27)24(20)12-13-28-5/h8-11,15,20,26H,6-7,12-14H2,1-5H3
InChIKeyCVZHEJUXCWBGNJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.49
Rot. Bonds10

About 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 43859915) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID43859915
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C22H32N2O4/c1-6-23(7-2)17-10-8-16(9-11-17)20-19(18(25)14-15(3)4)21(26)22(27)24(20)12-13-28-5/h8-11,15,20,26H,6-7,12-14H2,1-5H3
InChIKeyCVZHEJUXCWBGNJ-UHFFFAOYSA-N
XLogP3.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108612096
2-[4-(diethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860016
2-[4-(diethylamino)phenyl]-1-[(2,5-dimethylphenyl)methyl]-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108711400
4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643678
4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108643985
1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108635599
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108612639
4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 108664587
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643823
1-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108649629
4-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(3-methylbutanoyl)-1-propyl-2H-pyrrol-5-one
CID 108664085
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 108583576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 43859915) is 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is CCN(CC)c1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is CVZHEJUXCWBGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-6-23(7-2)17-10-8-16(9-11-17)20-19(18(25)14-15(3)4)21(26)22(27)24(20)12-13-28-5/h8-11,15,20,26H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 388.51 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 43859915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).