N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide

C19H28N2O — CID 119455463

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-13(2)18(14-6-4-3-5-7-14)12-19(22)21-17-10-15-8-9-16(11-17)20-15/h3-7,13,15-18,20H,8-12H2,1-2H3,(H,21,22)
InChIKeyGVDFSYJAYYCVJG-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.22
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide (PubChem CID 119455463) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
PubChem CID119455463
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-13(2)18(14-6-4-3-5-7-14)12-19(22)21-17-10-15-8-9-16(11-17)20-15/h3-7,13,15-18,20H,8-12H2,1-2H3,(H,21,22)
InChIKeyGVDFSYJAYYCVJG-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922
N-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119459009
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119458161
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide (CID 119455463) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NC1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide?
The InChIKey is GVDFSYJAYYCVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13(2)18(14-6-4-3-5-7-14)12-19(22)21-17-10-15-8-9-16(11-17)20-15/h3-7,13,15-18,20H,8-12H2,1-2H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide has a molecular weight of 300.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 119455463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).