4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide

C13H20N2O2 — CID 86824151

IUPAC4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCOCCCC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-3-17-10-6-8-13(16)15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3
InChIKeyYEHZCVKTLGYNBK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.86
Rot. Bonds7

About 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide

4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 86824151) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID86824151
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCOCCCC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-3-17-10-6-8-13(16)15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3
InChIKeyYEHZCVKTLGYNBK-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62561727
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
2-cyclohexyloxy-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 86824150
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
[methyl-[3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
CID 23166538

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 86824151) is 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide is CCOCCCC(=O)N(C)Cc1ccccn1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is YEHZCVKTLGYNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-10-6-8-13(16)15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 86824151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).