3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one

C25H29NO4 — CID 58365728

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one
SMILESCCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO4/c1-6-9-16-12-14-17(15-13-16)26-21(18-10-7-8-11-19(18)30-5)20(22(27)24(26)29)23(28)25(2,3)4/h7-8,10-15,21,27H,6,9H2,1-5H3
InChIKeyDRKWNDDKBSBSPN-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.16
Rot. Bonds6

About 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one (PubChem CID 58365728) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one
PubChem CID58365728
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one
SMILESCCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO4/c1-6-9-16-12-14-17(15-13-16)26-21(18-10-7-8-11-19(18)30-5)20(22(27)24(26)29)23(28)25(2,3)4/h7-8,10-15,21,27H,6,9H2,1-5H3
InChIKeyDRKWNDDKBSBSPN-UHFFFAOYSA-N
XLogP5.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 58365848
3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 58365710
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]phenyl]-2H-pyrrol-5-one
CID 145485483
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide
CID 108667786
1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108578726
4-hydroxy-3-(3-hydroxy-2,2-dimethylpropanoyl)-2-(2-methoxyphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58044919
1-(1,3-benzothiazol-2-yl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 58045266
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614622
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-oxopropoxy)phenyl]-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365364
4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108667858

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one (CID 58365728) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one is CCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccc2OC)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one?
The InChIKey is DRKWNDDKBSBSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-6-9-16-12-14-17(15-13-16)26-21(18-10-7-8-11-19(18)30-5)20(22(27)24(26)29)23(28)25(2,3)4/h7-8,10-15,21,27H,6,9H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one has a molecular weight of 407.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).