N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide

C28H26N2O7 — CID 90850715

IUPACN-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2c(O)c(O)n(-c3ccc(NC(C)=O)cc3)c2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H26N2O7/c1-16(31)29-19-8-10-20(11-9-19)30-25(18-7-14-22(36-3)23(15-18)37-4)24(27(33)28(30)34)26(32)17-5-12-21(35-2)13-6-17/h5-15,33-34H,1-4H3,(H,29,31)
InChIKeyAPHNZNFPZYKRGU-UHFFFAOYSA-N
MW502.52 g/mol
LogP4.77
Rot. Bonds8

About N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide

N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide (PubChem CID 90850715) has the molecular formula C28H26N2O7 and a molecular weight of 502.52 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide
PubChem CID90850715
Molecular FormulaC28H26N2O7
Molecular Weight502.52 g/mol
Exact Mass502.17
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2c(O)c(O)n(-c3ccc(NC(C)=O)cc3)c2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H26N2O7/c1-16(31)29-19-8-10-20(11-9-19)30-25(18-7-14-22(36-3)23(15-18)37-4)24(27(33)28(30)34)26(32)17-5-12-21(35-2)13-6-17/h5-15,33-34H,1-4H3,(H,29,31)
InChIKeyAPHNZNFPZYKRGU-UHFFFAOYSA-N
XLogP4.77
TPSA119.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[4,5-dihydroxy-2-(4-methoxyphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 91511985
[4,5-dihydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-2-pyridin-2-ylpyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 136609242
[2-(2-chlorophenyl)-4,5-dihydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 91504977
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
N-[4-[3-hydroxy-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110580988
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
CID 46695631
[4,5-dihydroxy-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pentan-3-ylpyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 90999723
ethyl 4-[2,3-dihydroxy-4-(2-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90822104
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
ethyl 4-[3-acetyloxy-2-hydroxy-4-(4-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90699805

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide (CID 90850715) is N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide is COc1ccc(C(=O)c2c(O)c(O)n(-c3ccc(NC(C)=O)cc3)c2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide?
The InChIKey is APHNZNFPZYKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O7/c1-16(31)29-19-8-10-20(11-9-19)30-25(18-7-14-22(36-3)23(15-18)37-4)24(27(33)28(30)34)26(32)17-5-12-21(35-2)13-6-17/h5-15,33-34H,1-4H3,(H,29,31).
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide?
N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide has a molecular weight of 502.52 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-3-(4-methoxybenzoyl)pyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 90850715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).