4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H24N2O2 — CID 7951887

IUPAC4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h7-11,20H,6H2,1-5H3,(H,21,23)/t11-/m0/s1
InChIKeyRBZVEOFENKZKPR-NSHDSACASA-N
MW312.41 g/mol
LogP4.60
Rot. Bonds5

About 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 7951887) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID7951887
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h7-11,20H,6H2,1-5H3,(H,21,23)/t11-/m0/s1
InChIKeyRBZVEOFENKZKPR-NSHDSACASA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768
4-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 9415910
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191612
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 51299789
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
methyl 2,4-dimethyl-5-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 42119846
ethyl 5-[(4-fluorophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2094567

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 7951887) is 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC[C@H](C)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RBZVEOFENKZKPR-NSHDSACASA-N. The full InChI is InChI=1S/C19H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h7-11,20H,6H2,1-5H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 7951887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).