2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide

C18H25BrN2O — CID 119734263

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-18(2,13-3-5-14(19)6-4-13)21-17(22)11-12-9-15-7-8-16(10-12)20-15/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,22)
InChIKeyCDJJPCWMUPRNOM-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.72
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide (PubChem CID 119734263) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
PubChem CID119734263
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-18(2,13-3-5-14(19)6-4-13)21-17(22)11-12-9-15-7-8-16(10-12)20-15/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,22)
InChIKeyCDJJPCWMUPRNOM-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dibromophenyl)acetamide
CID 79606861
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738252
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(4-tert-butylphenyl)propanoate
CID 119798310
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide (CID 119734263) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide is CC(C)(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Br)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The InChIKey is CDJJPCWMUPRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-18(2,13-3-5-14(19)6-4-13)21-17(22)11-12-9-15-7-8-16(10-12)20-15/h3-6,12,15-16,20H,7-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119734263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).