N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide

C16H22N2O — CID 167707080

IUPACN-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESCC(=O)NC1CC2CCC1N2Cc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16(18)15(9-14)17-12(2)19/h3-6,14-16H,7-10H2,1-2H3,(H,17,19)
InChIKeySXHKQJUZSAHAPI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.24
Rot. Bonds3

About N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide

N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide (PubChem CID 167707080) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
PubChem CID167707080
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESCC(=O)NC1CC2CCC1N2Cc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16(18)15(9-14)17-12(2)19/h3-6,14-16H,7-10H2,1-2H3,(H,17,19)
InChIKeySXHKQJUZSAHAPI-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-acetamido-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate
CID 76639118
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
CID 20522626
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
1-(2,4-difluorophenyl)-3-[(1R,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1467044
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
7-[(4-bromo-3-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66479121
1-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-methylphenyl)urea
CID 3217240
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066

Frequently Asked Questions

What is the IUPAC name of N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?
The IUPAC name of N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide (CID 167707080) is N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide.
What is the SMILES notation for N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?
The canonical SMILES for N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide is CC(=O)NC1CC2CCC1N2Cc1ccc(C)cc1.
What is the InChIKey of N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?
The InChIKey is SXHKQJUZSAHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)10-18-14-7-8-16(18)15(9-14)17-12(2)19/h3-6,14-16H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?
N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide is sourced from PubChem (CID 167707080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).