4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide

C15H30N2O — CID 122535025

IUPAC4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CC(C(C)(C)C)C(C(C)(C)C)N1
InChIInChI=1S/C15H30N2O/c1-14(2,3)10-9-11(13(18)17(7)8)16-12(10)15(4,5)6/h10-12,16H,9H2,1-8H3
InChIKeyDLGRHLUOOZUQTP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.51
Rot. Bonds1

About 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide

4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 122535025) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID122535025
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CC(C(C)(C)C)C(C(C)(C)C)N1
InChIInChI=1S/C15H30N2O/c1-14(2,3)10-9-11(13(18)17(7)8)16-12(10)15(4,5)6/h10-12,16H,9H2,1-8H3
InChIKeyDLGRHLUOOZUQTP-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Proline scaffold, 9
CID 42618107
Proline scaffold, 29
CID 42618126
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(2S,4R)-1-Methyl-4-propylpyrrolidine-2-carboxamide
CID 45116035
1-Methyl-4-propylprol inamide
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(2S,4S)-4-cyclohexyl-N-methylpyrrolidine-2-carboxamide
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N-[(2S)-1-amino-1-oxopropan-2-yl]-2,2,5,5-tetramethylcyclopentane-1-carboxamide
CID 9881253
N-(1-amino-1-oxopropan-2-yl)-2,2,5,5-tetramethylcyclopentane-1-carboxamide
CID 14028855
(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide
CID 22803647
(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide (CID 122535025) is 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CC(C(C)(C)C)C(C(C)(C)C)N1.
What is the InChIKey of 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is DLGRHLUOOZUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)10-9-11(13(18)17(7)8)16-12(10)15(4,5)6/h10-12,16H,9H2,1-8H3.
What are the key properties of 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide?
4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 122535025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).