N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide

C15H22N2O — CID 155637447

IUPACN-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-10-9-13(11-17)16-14(18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXBXYBOJTPACMSW-CYBMUJFWSA-N
MW246.35 g/mol
LogP2.29
Rot. Bonds2

About N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide

N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide (PubChem CID 155637447) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
PubChem CID155637447
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-10-9-13(11-17)16-14(18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXBXYBOJTPACMSW-CYBMUJFWSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide
CID 131947055
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide (CID 155637447) is N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide is CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide?
The InChIKey is XBXYBOJTPACMSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)17-10-9-13(11-17)16-14(18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide?
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 155637447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).