2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one

C18H24N2O3 — CID 108615886

IUPAC2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O3/c1-5-11-20-16(12-7-9-13(10-8-12)19(3)4)15(14(21)6-2)17(22)18(20)23/h7-10,16,22H,5-6,11H2,1-4H3
InChIKeyRZRHLFWBWQOBBU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one

2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one (PubChem CID 108615886) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one
PubChem CID108615886
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O3/c1-5-11-20-16(12-7-9-13(10-8-12)19(3)4)15(14(21)6-2)17(22)18(20)23/h7-10,16,22H,5-6,11H2,1-4H3
InChIKeyRZRHLFWBWQOBBU-UHFFFAOYSA-N
XLogP2.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108707108
2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108641425
2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615911
[4-(1-butyl-4-hydroxy-5-oxo-3-propanoyl-2H-pyrrol-2-yl)phenyl] acetate
CID 108663473
3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 43859779
3-(5-bromo-1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615907
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108652217
4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108643985
4-hydroxy-2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propanoyl-2H-pyrrol-5-one
CID 108689215
4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643678
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711310
3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-pentyl-2H-pyrrol-5-one
CID 108615949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one (CID 108615886) is 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The InChIKey is RZRHLFWBWQOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-11-20-16(12-7-9-13(10-8-12)19(3)4)15(14(21)6-2)17(22)18(20)23/h7-10,16,22H,5-6,11H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one?
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one has a molecular weight of 316.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108615886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).