(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

C17H22N2O2 — CID 102325950

IUPAC(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCNC(=O)[C@@]1(CC(C)C)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-13(2)12-17(16(21)18-3)10-7-11-19(17)15(20)14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyTYKHZVWQAIYGFF-KRWDZBQOSA-N
MW286.38 g/mol
LogP2.23
Rot. Bonds4

About (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (PubChem CID 102325950) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
PubChem CID102325950
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCNC(=O)[C@@]1(CC(C)C)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-13(2)12-17(16(21)18-3)10-7-11-19(17)15(20)14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyTYKHZVWQAIYGFF-KRWDZBQOSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459663
1-benzoyl-5-methyl-2H-pyrrole-5-carboxylic acid
CID 5459687
1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide
CID 5459697
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
1-benzoyl-2,2-dimethylpyrrolidin-3-one
CID 66936289
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
methyl 2-benzoyl-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 139095289
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
N-methyl-1-(2-methylpropyl)-4-phenoxypiperidine-4-carboxamide
CID 175311415
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (CID 102325950) is (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is CNC(=O)[C@@]1(CC(C)C)C=CCN1C(=O)c1ccccc1.
What is the InChIKey of (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The InChIKey is TYKHZVWQAIYGFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)12-17(16(21)18-3)10-7-11-19(17)15(20)14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1.
What are the key properties of (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
(5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzoyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 102325950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).