2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide

C13H27N3O2 — CID 43087685

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCCN1CCCC1CNC(C)C(=O)NCCOC
InChIInChI=1S/C13H27N3O2/c1-4-16-8-5-6-12(16)10-15-11(2)13(17)14-7-9-18-3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyLRBVOWOCMPIYQO-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 43087685) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID43087685
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCCN1CCCC1CNC(C)C(=O)NCCOC
InChIInChI=1S/C13H27N3O2/c1-4-16-8-5-6-12(16)10-15-11(2)13(17)14-7-9-18-3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyLRBVOWOCMPIYQO-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-(2-methoxyethyl)-2-(piperidin-2-ylmethylamino)propanamide
CID 106634334
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111263043
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 114095883

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide (CID 43087685) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide is CCN1CCCC1CNC(C)C(=O)NCCOC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LRBVOWOCMPIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16-8-5-6-12(16)10-15-11(2)13(17)14-7-9-18-3/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43087685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).