2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide

C11H22N2O2 — CID 155201079

IUPAC2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide
SMILESCON(C)C(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9-7-6-8-13(9)10(14)12(4)15-5/h9H,6-8H2,1-5H3
InChIKeyTWHXPCARDVEFSF-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.11
Rot. Bonds1

About 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide

2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide (PubChem CID 155201079) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide
PubChem CID155201079
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide
SMILESCON(C)C(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9-7-6-8-13(9)10(14)12(4)15-5/h9H,6-8H2,1-5H3
InChIKeyTWHXPCARDVEFSF-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-tert-butylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane
CID 159229738
N,N-diethyl-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 71910820
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 89401756
tert-butyl 2-tert-butylpyrrolidine-1-carboxylate;2-tert-butylpyrrolidine
CID 157438683
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 10635916
methyl N-[(1S)-2-(2-tert-butylpyrrolidin-1-yl)-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 163669024
1-(2-tert-butylpyrrolidin-1-yl)propane-1-thione
CID 155201084
N-methoxy-N-methylpiperazine-1-carboxamide
CID 174898096
tert-butyl 2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 102537931
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide (CID 155201079) is 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide is CON(C)C(=O)N1CCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide?
The InChIKey is TWHXPCARDVEFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)9-7-6-8-13(9)10(14)12(4)15-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide?
2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 155201079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).