6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide

C20H26N2O4 — CID 177379692

IUPAC6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide
SMILESCOc1ccc(-c2cn(CCCCCC(=O)NO)c(C)c2C(C)=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14-20(15(2)23)18(16-8-10-17(26-3)11-9-16)13-22(14)12-6-4-5-7-19(24)21-25/h8-11,13,25H,4-7,12H2,1-3H3,(H,21,24)
InChIKeyNMNQNRGBYOMHQL-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.74
Rot. Bonds9

About 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide

6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide (PubChem CID 177379692) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide
PubChem CID177379692
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide
SMILESCOc1ccc(-c2cn(CCCCCC(=O)NO)c(C)c2C(C)=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14-20(15(2)23)18(16-8-10-17(26-3)11-9-16)13-22(14)12-6-4-5-7-19(24)21-25/h8-11,13,25H,4-7,12H2,1-3H3,(H,21,24)
InChIKeyNMNQNRGBYOMHQL-UHFFFAOYSA-N
XLogP3.74
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide (CID 177379692) is 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide is COc1ccc(-c2cn(CCCCCC(=O)NO)c(C)c2C(C)=O)cc1.
What is the InChIKey of 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide?
The InChIKey is NMNQNRGBYOMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-20(15(2)23)18(16-8-10-17(26-3)11-9-16)13-22(14)12-6-4-5-7-19(24)21-25/h8-11,13,25H,4-7,12H2,1-3H3,(H,21,24).
What are the key properties of 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide?
6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide has a molecular weight of 358.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-acetyl-4-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 177379692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).