N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide

C15H22N2O2 — CID 63007100

IUPACN-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-19-10-9-17(12-13-5-3-2-4-6-13)15(18)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3
InChIKeyDCOQLRKFSOITGH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.27
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide

N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 63007100) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID63007100
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-19-10-9-17(12-13-5-3-2-4-6-13)15(18)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3
InChIKeyDCOQLRKFSOITGH-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-(2-methoxyethyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 119307596
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 63007100) is N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is COCCN(Cc1ccccc1)C(=O)C1CCNC1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is DCOQLRKFSOITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-10-9-17(12-13-5-3-2-4-6-13)15(18)14-7-8-16-11-14/h2-6,14,16H,7-12H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).