3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide

C14H22N2O2 — CID 90652400

IUPAC3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1ccc(CC)cn1
InChIInChI=1S/C14H22N2O2/c1-4-12-6-7-13(15-10-12)11-16(3)14(17)8-9-18-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNBGKBOPZBZNPKH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds7

About 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide

3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide (PubChem CID 90652400) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
PubChem CID90652400
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1ccc(CC)cn1
InChIInChI=1S/C14H22N2O2/c1-4-12-6-7-13(15-10-12)11-16(3)14(17)8-9-18-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNBGKBOPZBZNPKH-UHFFFAOYSA-N
XLogP2.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide (CID 90652400) is 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide is CCOCCC(=O)N(C)Cc1ccc(CC)cn1.
What is the InChIKey of 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide?
The InChIKey is NBGKBOPZBZNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12-6-7-13(15-10-12)11-16(3)14(17)8-9-18-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide?
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 90652400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).