3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide

C12H22N2O2 — CID 103021678

IUPAC3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
SMILESCOC(C)(C)CC(=O)NCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,16-3)8-11(15)14-9-10-4-6-13-7-5-10/h4,13H,5-9H2,1-3H3,(H,14,15)
InChIKeyMTLGDCWFYLOPHQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds5

About 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide

3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide (PubChem CID 103021678) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
PubChem CID103021678
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
SMILESCOC(C)(C)CC(=O)NCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,16-3)8-11(15)14-9-10-4-6-13-7-5-10/h4,13H,5-9H2,1-3H3,(H,14,15)
InChIKeyMTLGDCWFYLOPHQ-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-N-prop-2-enylbutanamide
CID 103021004
3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
CID 103021025
N-but-3-enyl-3-methoxy-3-methylbutanamide
CID 103021027
3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 103021032
N-[(E)-4-aminobut-2-enyl]-3-methoxy-3-methylbutanamide
CID 103021661
4-amino-3-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 103156816
2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103557398
2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
CID 105740220
4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 106314069
3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486796
2-(1-methoxycyclobutyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486968
3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107487081

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide (CID 103021678) is 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide is COC(C)(C)CC(=O)NCC1=CCNCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide?
The InChIKey is MTLGDCWFYLOPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,16-3)8-11(15)14-9-10-4-6-13-7-5-10/h4,13H,5-9H2,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide?
3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 103021678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).