4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 171483228

IUPAC4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H20N2O2/c1-10-5-11(2)15(12(3)6-10)9-19-17(21)16-7-14(8-18-16)13(4)20/h5-8,18H,9H2,1-4H3,(H,19,21)
InChIKeySDDKRVKLOCBCJS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.07
Rot. Bonds4

About 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 171483228) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID171483228
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H20N2O2/c1-10-5-11(2)15(12(3)6-10)9-19-17(21)16-7-14(8-18-16)13(4)20/h5-8,18H,9H2,1-4H3,(H,19,21)
InChIKeySDDKRVKLOCBCJS-UHFFFAOYSA-N
XLogP3.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9084845
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
4-acetyl-N-(1H-indol-7-ylmethyl)-1H-pyrrole-2-carboxamide
CID 171483280
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 171483228) is 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SDDKRVKLOCBCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-5-11(2)15(12(3)6-10)9-19-17(21)16-7-14(8-18-16)13(4)20/h5-8,18H,9H2,1-4H3,(H,19,21).
What are the key properties of 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 171483228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).