2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide

C13H26N2O3 — CID 90224450

IUPAC2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCCN1C(=O)NCC(C)C(C)OC
InChIInChI=1S/C13H26N2O3/c1-10(11(2)18-4)8-14-13(16)15-7-5-6-12(15)9-17-3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyGKHOMPIGQCIHNS-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.48
Rot. Bonds6

About 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide

2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide (PubChem CID 90224450) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
PubChem CID90224450
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCCN1C(=O)NCC(C)C(C)OC
InChIInChI=1S/C13H26N2O3/c1-10(11(2)18-4)8-14-13(16)15-7-5-6-12(15)9-17-3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyGKHOMPIGQCIHNS-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide (CID 90224450) is 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide is COCC1CCCN1C(=O)NCC(C)C(C)OC.
What is the InChIKey of 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is GKHOMPIGQCIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(11(2)18-4)8-14-13(16)15-7-5-6-12(15)9-17-3/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide?
2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90224450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).