N-tert-butyl-3-ethylpyrrolidine-3-carboxamide

C11H22N2O — CID 63140815

IUPACN-tert-butyl-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O/c1-5-11(6-7-12-8-11)9(14)13-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyODWUROZLXNZSSF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds2

About N-tert-butyl-3-ethylpyrrolidine-3-carboxamide

N-tert-butyl-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63140815) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-tert-butyl-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-ethylpyrrolidine-3-carboxamide
PubChem CID63140815
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-tert-butyl-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O/c1-5-11(6-7-12-8-11)9(14)13-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyODWUROZLXNZSSF-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
CID 106188179
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79798379
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-3-ethylpyrrolidine-3-carboxamide (CID 63140815) is N-tert-butyl-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)(C)C)CCNC1.
What is the InChIKey of N-tert-butyl-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is ODWUROZLXNZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(6-7-12-8-11)9(14)13-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-3-ethylpyrrolidine-3-carboxamide?
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).