N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide

C17H20N2O2 — CID 79108596

IUPACN-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)C(C)C)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)17(21)14-7-8-19(10-14)11-16(20)18-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyXJIABYCVPLCLMF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.27
Rot. Bonds5

About N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide

N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide (PubChem CID 79108596) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
PubChem CID79108596
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)C(C)C)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)17(21)14-7-8-19(10-14)11-16(20)18-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyXJIABYCVPLCLMF-UHFFFAOYSA-N
XLogP3.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79107992
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79109983
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108990
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 63338844

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide (CID 79108596) is N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2ccc(C(=O)C(C)C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The InChIKey is XJIABYCVPLCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)17(21)14-7-8-19(10-14)11-16(20)18-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79108596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).