N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide

C13H26N2O2 — CID 63692883

IUPACN-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
SMILESCCOCCN(CC)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-13(7-8-14-11-13)12(16)15(5-2)9-10-17-6-3/h14H,4-11H2,1-3H3
InChIKeyKUOCJGHBHGGCKM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide

N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide (PubChem CID 63692883) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
PubChem CID63692883
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
SMILESCCOCCN(CC)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-13(7-8-14-11-13)12(16)15(5-2)9-10-17-6-3/h14H,4-11H2,1-3H3
InChIKeyKUOCJGHBHGGCKM-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
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

N,N-bis(2-ethoxyethyl)-4-ethylpiperidine-4-carboxamide
CID 82960199
N-(2-ethoxyethyl)-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120626354
N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
CID 119755010
N-[3-(dimethylamino)propyl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63143867
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
N-[3-(diethylamino)propyl]-N,4-diethylpiperidine-4-carboxamide
CID 102993130
N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 63143750
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216
N-ethyl-4-(methoxymethyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 120620366

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide (CID 63692883) is N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide is CCOCCN(CC)C(=O)C1(CC)CCNC1.
What is the InChIKey of N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide?
The InChIKey is KUOCJGHBHGGCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(7-8-14-11-13)12(16)15(5-2)9-10-17-6-3/h14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide?
N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63692883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).