N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide

C28H26N2O5 — CID 108667786

IUPACN-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide
SMILESCOc1ccccc1C1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C28H26N2O5/c1-18(31)29-20-13-15-21(16-14-20)30-26(22-10-6-7-11-24(22)35-2)25(27(33)28(30)34)23(32)17-12-19-8-4-3-5-9-19/h3-11,13-16,26,33H,12,17H2,1-2H3,(H,29,31)
InChIKeyHLBGSIHIDDJOSB-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.76
Rot. Bonds8

About N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide

N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide (PubChem CID 108667786) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide
PubChem CID108667786
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide
SMILESCOc1ccccc1C1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C28H26N2O5/c1-18(31)29-20-13-15-21(16-14-20)30-26(22-10-6-7-11-24(22)35-2)25(27(33)28(30)34)23(32)17-12-19-8-4-3-5-9-19/h3-11,13-16,26,33H,12,17H2,1-2H3,(H,29,31)
InChIKeyHLBGSIHIDDJOSB-UHFFFAOYSA-N
XLogP4.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzonitrile
CID 108668219
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
1-(4-ethoxyphenyl)-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108606670
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(4-propylphenyl)-2H-pyrrol-5-one
CID 58365728
1-[4-(dimethylamino)phenyl]-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108606322
4-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzonitrile
CID 108668132
1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108578726
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108575965
4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
4-hydroxy-2-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108578572
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
N-[3-[3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668032

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide (CID 108667786) is N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide is COc1ccccc1C1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide?
The InChIKey is HLBGSIHIDDJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-18(31)29-20-13-15-21(16-14-20)30-26(22-10-6-7-11-24(22)35-2)25(27(33)28(30)34)23(32)17-12-19-8-4-3-5-9-19/h3-11,13-16,26,33H,12,17H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide?
N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 108667786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).