4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C19H25NO4 — CID 108643678

IUPAC4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCOC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO4/c1-5-15(21)16-17(14-8-6-13(7-9-14)12(2)3)20(10-11-24-4)19(23)18(16)22/h6-9,12,17,22H,5,10-11H2,1-4H3
InChIKeyRVZKFWGBHPPQMN-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.13
Rot. Bonds7

About 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 108643678) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID108643678
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCOC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO4/c1-5-15(21)16-17(14-8-6-13(7-9-14)12(2)3)20(10-11-24-4)19(23)18(16)22/h6-9,12,17,22H,5,10-11H2,1-4H3
InChIKeyRVZKFWGBHPPQMN-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108643985
4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108612096
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859915
(2S)-3-acetyl-1-(2,2-dimethoxyethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 1092502
4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108636016
4-hydroxy-2-(3-methoxy-4-propan-2-yloxyphenyl)-1-(3-methoxypropyl)-3-propanoyl-2H-pyrrol-5-one
CID 108693363
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643823
1-(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679927
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643695
4-hydroxy-2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propanoyl-2H-pyrrol-5-one
CID 108689215
4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613192
2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108641425

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 108643678) is 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(CCOC)C1c1ccc(C(C)C)cc1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is RVZKFWGBHPPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-15(21)16-17(14-8-6-13(7-9-14)12(2)3)20(10-11-24-4)19(23)18(16)22/h6-9,12,17,22H,5,10-11H2,1-4H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 331.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108643678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).