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

C14H26N2O2 — CID 95209613

IUPAC2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
SMILESCOCC(=O)N[C@H](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)/t13-/m1/s1
InChIKeyVYSRBBKKVAYDRA-CYBMUJFWSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds6

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

2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide (PubChem CID 95209613) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
PubChem CID95209613
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide
SMILESCOCC(=O)N[C@H](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)/t13-/m1/s1
InChIKeyVYSRBBKKVAYDRA-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide (CID 95209613) is 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide is COCC(=O)N[C@H](CC(C)C)C1=CCCN(C)C1.
What is the InChIKey of 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
The InChIKey is VYSRBBKKVAYDRA-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide?
2-methoxy-N-[(1R)-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-[(1R)-3-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)butyl]acetamide is sourced from PubChem (CID 95209613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).