1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one

C24H27NO4 — CID 108666301

IUPAC1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)C1c1cccc(OC)c1
InChIInChI=1S/C24H27NO4/c1-6-19(26)20-21(15-8-7-9-18(14-15)29-5)25(23(28)22(20)27)17-12-10-16(11-13-17)24(2,3)4/h7-14,21,27H,6H2,1-5H3
InChIKeyDUWLMNQEZGPKDX-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.87
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one

1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108666301) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108666301
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)C1c1cccc(OC)c1
InChIInChI=1S/C24H27NO4/c1-6-19(26)20-21(15-8-7-9-18(14-15)29-5)25(23(28)22(20)27)17-12-10-16(11-13-17)24(2,3)4/h7-14,21,27H,6H2,1-5H3
InChIKeyDUWLMNQEZGPKDX-UHFFFAOYSA-N
XLogP4.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109
2-[4-[4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108666735
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544
1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108666475
(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 780348
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
ethyl 4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108699265
2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108676463
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
2-[4-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenoxy]acetic acid
CID 1259404
4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108578388

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one (CID 108666301) is 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(C(C)(C)C)cc2)C1c1cccc(OC)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is DUWLMNQEZGPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-6-19(26)20-21(15-8-7-9-18(14-15)29-5)25(23(28)22(20)27)17-12-10-16(11-13-17)24(2,3)4/h7-14,21,27H,6H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one?
1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 393.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108666301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).