N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide

C16H20N2O2 — CID 79291124

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,20)12-17(3)15(19)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-11,20H,12H2,1-3H3
InChIKeyXQFPWSWNQJILHW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide (PubChem CID 79291124) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
PubChem CID79291124
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,20)12-17(3)15(19)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-11,20H,12H2,1-3H3
InChIKeyXQFPWSWNQJILHW-UHFFFAOYSA-N
XLogP2.32
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide (CID 79291124) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide is CN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide?
The InChIKey is XQFPWSWNQJILHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,20)12-17(3)15(19)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-11,20H,12H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79291124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).