N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide

C19H28N2O2 — CID 23635138

IUPACN-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@@H]1CCCN1CCc1ccc(NC(=O)C(C)(C)C)c(C=O)c1
InChIInChI=1S/C19H28N2O2/c1-14-6-5-10-21(14)11-9-15-7-8-17(16(12-15)13-22)20-18(23)19(2,3)4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyYHAZPYOAQJQMAL-CQSZACIVSA-N
MW316.45 g/mol
LogP3.51
Rot. Bonds5

About N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide

N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 23635138) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID23635138
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@@H]1CCCN1CCc1ccc(NC(=O)C(C)(C)C)c(C=O)c1
InChIInChI=1S/C19H28N2O2/c1-14-6-5-10-21(14)11-9-15-7-8-17(16(12-15)13-22)20-18(23)19(2,3)4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyYHAZPYOAQJQMAL-CQSZACIVSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
N-(2-formylphenyl)acetamide
CID 326664
3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 923710
N-(2-benzoylphenyl)-2-pyrrolidin-1-ylacetamide
CID 2462370
1-isopropyl-N-{2-[(methylamino)carbonyl]phenyl}-5-oxo-3-pyrrolidinecarboxamide
CID 6459465
N-{2-[(ethylamino)carbonyl]phenyl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 6493104
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (2-allylcarbamoyl-phenyl)-amide
CID 6493112
N-(2,6-dimethylphenyl)-4-(2-oxo-1-pyrrolidinyl)benzamide
CID 16546688
6-Methyl-2-phenyl-3-(pyrrolidinylmethyl)quinolin-4-ol
CID 730813
N-[4-(1-pyrrolidinylcarbonyl)phenyl]acetamide
CID 3120528
3-Methyl-4-(pyrrolidin-1-yl)benzaldehyde
CID 3144104

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide (CID 23635138) is N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide is C[C@@H]1CCCN1CCc1ccc(NC(=O)C(C)(C)C)c(C=O)c1.
What is the InChIKey of N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is YHAZPYOAQJQMAL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-6-5-10-21(14)11-9-15-7-8-17(16(12-15)13-22)20-18(23)19(2,3)4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 316.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 23635138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).