N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide

C13H25N3O2 — CID 55230347

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9-6-14-7-10(9)12(18)16(5)8-11(17)15-13(2,3)4/h9-10,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyBDOKABYNSWLKFN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 55230347) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID55230347
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9-6-14-7-10(9)12(18)16(5)8-11(17)15-13(2,3)4/h9-10,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyBDOKABYNSWLKFN-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
6-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60953991
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 107199408
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide (CID 55230347) is N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is BDOKABYNSWLKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-6-14-7-10(9)12(18)16(5)8-11(17)15-13(2,3)4/h9-10,14H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55230347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).