N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C18H24N2O2 — CID 167878738

IUPACN-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1N(C)C(=O)CC12CNC(=O)C(C1)C2
InChIInChI=1S/C18H24N2O2/c1-12(2)14-6-4-5-7-15(14)20(3)16(21)10-18-8-13(9-18)17(22)19-11-18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyLMKIICCLIIEYGP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide

N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 167878738) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID167878738
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1N(C)C(=O)CC12CNC(=O)C(C1)C2
InChIInChI=1S/C18H24N2O2/c1-12(2)14-6-4-5-7-15(14)20(3)16(21)10-18-8-13(9-18)17(22)19-11-18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyLMKIICCLIIEYGP-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
CID 28795019
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CID 28794600
N-methyl-N-propan-2-yl-2-(2-propan-2-ylphenyl)acetamide
CID 59961759
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
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CID 118898422
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
3-(2-propan-2-ylphenyl)azetidine-3-carboxylic acid;hydrochloride
CID 146265887
5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 59823931
3-methyl-1-(methylaminomethyl)-1-(2-propan-2-ylphenyl)urea
CID 167210771
1,3-diamino-1-(2-propan-2-ylphenyl)urea
CID 174659276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 167878738) is N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1N(C)C(=O)CC12CNC(=O)C(C1)C2.
What is the InChIKey of N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is LMKIICCLIIEYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)14-6-4-5-7-15(14)20(3)16(21)10-18-8-13(9-18)17(22)19-11-18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 167878738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).