N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide

C9H18N2O2 — CID 21365816

IUPACN-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyMGSXUQWYQLPHEK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds4

About N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 21365816) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID21365816
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyMGSXUQWYQLPHEK-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-aminobutyryl-L-prolinamide
CID 11579307
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
L-norleucyl-L-prolinamide
CID 11615534
L-norvalyl-L-prolinamide
CID 11687141
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029
(2S)-aminobutyryl-L-proline (R)-sec-butylamide
CID 11579736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide (CID 21365816) is N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide is COCCNC(=O)C1CCCN1C.
What is the InChIKey of N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is MGSXUQWYQLPHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 21365816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).