2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide

C14H26N2O2 — CID 167386412

IUPAC2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1C[C@@H]2C[C@H]1CO2)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(15-14(17)10(3)4)7-16-6-12-5-11(16)8-18-12/h9-13H,5-8H2,1-4H3,(H,15,17)/t11-,12-,13?/m0/s1
InChIKeyGWCHAFUKOANTAV-VYAYZGMFSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide

2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide (PubChem CID 167386412) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
PubChem CID167386412
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1C[C@@H]2C[C@H]1CO2)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(15-14(17)10(3)4)7-16-6-12-5-11(16)8-18-12/h9-13H,5-8H2,1-4H3,(H,15,17)/t11-,12-,13?/m0/s1
InChIKeyGWCHAFUKOANTAV-VYAYZGMFSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide (CID 167386412) is 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide is CC(C)C(=O)NC(CN1C[C@@H]2C[C@H]1CO2)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide?
The InChIKey is GWCHAFUKOANTAV-VYAYZGMFSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)13(15-14(17)10(3)4)7-16-6-12-5-11(16)8-18-12/h9-13H,5-8H2,1-4H3,(H,15,17)/t11-,12-,13?/m0/s1.
What are the key properties of 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide?
2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide is sourced from PubChem (CID 167386412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).