4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide

C19H24N2O2 — CID 46530467

IUPAC4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)C(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-11(2)17(15-9-7-6-8-10-15)21-19(23)18-12(3)16(14(5)22)13(4)20-18/h6-11,17,20H,1-5H3,(H,21,23)
InChIKeyMPKAZWPKHMTHMF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.96
Rot. Bonds5

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

4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 46530467) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID46530467
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)C(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-11(2)17(15-9-7-6-8-10-15)21-19(23)18-12(3)16(14(5)22)13(4)20-18/h6-11,17,20H,1-5H3,(H,21,23)
InChIKeyMPKAZWPKHMTHMF-UHFFFAOYSA-N
XLogP3.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136328
4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323
1-phenylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500468
4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 17391873
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133171
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133173
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134043470
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CID 2091172

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide (CID 46530467) is 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)C(C)C)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MPKAZWPKHMTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11(2)17(15-9-7-6-8-10-15)21-19(23)18-12(3)16(14(5)22)13(4)20-18/h6-11,17,20H,1-5H3,(H,21,23).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46530467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).