(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide

C12H24N2O2 — CID 69169625

IUPAC(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)12(3)6-5-8-14(12)11(15)13-7-9-16-4/h10H,5-9H2,1-4H3,(H,13,15)/t12-/m0/s1
InChIKeyIKRONUCOQYFSOI-LBPRGKRZSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds4

About (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide

(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 69169625) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID69169625
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)12(3)6-5-8-14(12)11(15)13-7-9-16-4/h10H,5-9H2,1-4H3,(H,13,15)/t12-/m0/s1
InChIKeyIKRONUCOQYFSOI-LBPRGKRZSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 91921257
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 56825540
1-(1-Fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
CID 160133471
N-(2-methoxyethyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59542465
(2R)-2-ethyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide
CID 68062554
N-(2-methoxyethyl)-2,2-dimethylpyrrolidine-1-carboxamide
CID 68062716
3-(3-Ethylcyclopentyl)-1-(2-methoxyethyl)-1-methylurea
CID 68260683
(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide
CID 69164831
(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 69168938
(2S)-2-methyl-N,2-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 69170170
(2S)-N,2-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 69170295
N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 77610467

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide (CID 69169625) is (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide is COCCNC(=O)N1CCC[C@@]1(C)C(C)C.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is IKRONUCOQYFSOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)12(3)6-5-8-14(12)11(15)13-7-9-16-4/h10H,5-9H2,1-4H3,(H,13,15)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
(2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69169625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).