2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide

C17H26N2O — CID 119535148

IUPAC2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCC(C)(Cc1ccccc1)C(=O)NCCC1CCNC1
InChIInChI=1S/C17H26N2O/c1-17(2,12-14-6-4-3-5-7-14)16(20)19-11-9-15-8-10-18-13-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20)
InChIKeyWQSWMVSHIXFFOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide

2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide (PubChem CID 119535148) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
PubChem CID119535148
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCC(C)(Cc1ccccc1)C(=O)NCCC1CCNC1
InChIInChI=1S/C17H26N2O/c1-17(2,12-14-6-4-3-5-7-14)16(20)19-11-9-15-8-10-18-13-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20)
InChIKeyWQSWMVSHIXFFOY-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-methoxy-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537685
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
4-methylsulfanyl-2-[(2-phenylacetyl)amino]-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119536940
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide (CID 119535148) is 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide is CC(C)(Cc1ccccc1)C(=O)NCCC1CCNC1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is WQSWMVSHIXFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,12-14-6-4-3-5-7-14)16(20)19-11-9-15-8-10-18-13-15/h3-7,15,18H,8-13H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 119535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).