4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C20H26N2O3 — CID 52719722

IUPAC4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1
InChIInChI=1S/C20H26N2O3/c1-6-7-10-25-16-8-9-17(12(2)11-16)22-20(24)19-13(3)18(15(5)23)14(4)21-19/h8-9,11,21H,6-7,10H2,1-5H3,(H,22,24)
InChIKeyGJLVDIKGSAEJTA-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.57
Rot. Bonds7

About 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 52719722) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID52719722
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1
InChIInChI=1S/C20H26N2O3/c1-6-7-10-25-16-8-9-17(12(2)11-16)22-20(24)19-13(3)18(15(5)23)14(4)21-19/h8-9,11,21H,6-7,10H2,1-5H3,(H,22,24)
InChIKeyGJLVDIKGSAEJTA-UHFFFAOYSA-N
XLogP4.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 60575158
2-methoxyethyl 5-[(2-butoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55905372
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63103395
4-acetyl-3,5-dimethyl-N-(2-phenoxyphenyl)-1H-pyrrole-2-carboxamide
CID 2126504
4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768
4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5066932
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 52719722) is 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCCCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1.
What is the InChIKey of 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is GJLVDIKGSAEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-7-10-25-16-8-9-17(12(2)11-16)22-20(24)19-13(3)18(15(5)23)14(4)21-19/h8-9,11,21H,6-7,10H2,1-5H3,(H,22,24).
What are the key properties of 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 52719722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).