N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide

C13H26N2O — CID 103461536

IUPACN-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O/c1-5-12(3,4)9-15-11(16)13(6-2)7-8-14-10-13/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyAPDMNMNNUGPJAI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide

N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 103461536) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID103461536
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O/c1-5-12(3,4)9-15-11(16)13(6-2)7-8-14-10-13/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyAPDMNMNNUGPJAI-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 107865730
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide (CID 103461536) is N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide is CCC(C)(C)CNC(=O)C1(CC)CCNC1.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is APDMNMNNUGPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-12(3,4)9-15-11(16)13(6-2)7-8-14-10-13/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide?
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103461536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).