2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide

C14H26N2O2 — CID 56708684

IUPAC2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
SMILESCOCC(=O)NC(CC(C)C)C1=CCCN(C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-13(15-14(17)10-18-4)12-6-5-7-16(3)9-12/h6,11,13H,5,7-10H2,1-4H3,(H,15,17)
InChIKeyVYSRBBKKVAYDRA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds6

About 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide

2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide (PubChem CID 56708684) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
PubChem CID56708684
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
SMILESCOCC(=O)NC(CC(C)C)C1=CCCN(C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-13(15-14(17)10-18-4)12-6-5-7-16(3)9-12/h6,11,13H,5,7-10H2,1-4H3,(H,15,17)
InChIKeyVYSRBBKKVAYDRA-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{1-[1-(2-azepan-1-ylethyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}-2-methoxyacetamide
CID 56700979
N-[1-({1-[(2E)-but-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]-2-methoxyacetamide
CID 56712773
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
2-methoxy-N-[2-[[(3S)-3-prop-1-enylpyrrolidin-1-yl]methyl]pentyl]acetamide
CID 69894972
2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 147967011
2-methoxy-1-(6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 153621506
2-methoxy-1-[(6R)-6-methyl-5-(2-methylbutan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 153621766
2-methoxy-1-[(6S)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154952945
N-cyclohex-2-en-1-yl-2-methoxyacetamide
CID 13421091
1-[4-(Cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
CID 43747510
1-[4-(6-Bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone
CID 43791430
N-(cyclohex-3-en-1-ylmethyl)-2-ethoxyacetamide
CID 61808562

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide (CID 56708684) is 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide is COCC(=O)NC(CC(C)C)C1=CCCN(C)C1.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The InChIKey is VYSRBBKKVAYDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)8-13(15-14(17)10-18-4)12-6-5-7-16(3)9-12/h6,11,13H,5,7-10H2,1-4H3,(H,15,17).
What are the key properties of 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide is sourced from PubChem (CID 56708684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).