N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide

C14H28N2O3 — CID 102779936

IUPACN,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1NCCC1C
InChIInChI=1S/C14H28N2O3/c1-4-18-10-8-16(9-11-19-5-2)14(17)13-12(3)6-7-15-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJNKFXUIKYVBAOQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.89
Rot. Bonds9

About N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide

N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779936) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779936
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1NCCC1C
InChIInChI=1S/C14H28N2O3/c1-4-18-10-8-16(9-11-19-5-2)14(17)13-12(3)6-7-15-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJNKFXUIKYVBAOQ-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-[2-(dimethylamino)ethyl]-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102779290
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928414
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
N,N-dibutyl-3-methylpiperidine-2-carboxamide
CID 62339284
N,N-bis(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 62339294
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 102779892
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708
1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
CID 103488963
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778482

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide (CID 102779936) is N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide is CCOCCN(CCOCC)C(=O)C1NCCC1C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is JNKFXUIKYVBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-18-10-8-16(9-11-19-5-2)14(17)13-12(3)6-7-15-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide?
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).