N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide

C14H26N2O2 — CID 48661988

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O2/c1-3-6-18-10-14(17)15-9-11-7-12-4-5-13(8-11)16(12)2/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXUANAMZNLJNIHS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide (PubChem CID 48661988) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide
PubChem CID48661988
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O2/c1-3-6-18-10-14(17)15-9-11-7-12-4-5-13(8-11)16(12)2/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXUANAMZNLJNIHS-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
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 N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide (CID 48661988) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide?
The InChIKey is XUANAMZNLJNIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-6-18-10-14(17)15-9-11-7-12-4-5-13(8-11)16(12)2/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 48661988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).