N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide

C16H23BrN2O2 — CID 65120579

IUPACN-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
SMILESCC1CCCC(O)(CNCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-12-3-2-8-16(21,9-12)11-18-10-15(20)19-14-6-4-13(17)5-7-14/h4-7,12,18,21H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyNVMZDEVHAGYXOO-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.92
Rot. Bonds5

About N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide

N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide (PubChem CID 65120579) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
PubChem CID65120579
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
SMILESCC1CCCC(O)(CNCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-12-3-2-8-16(21,9-12)11-18-10-15(20)19-14-6-4-13(17)5-7-14/h4-7,12,18,21H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyNVMZDEVHAGYXOO-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65122968
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
CID 65120584
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
CID 113488714
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide (CID 65120579) is N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide is CC1CCCC(O)(CNCC(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide?
The InChIKey is NVMZDEVHAGYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-3-2-8-16(21,9-12)11-18-10-15(20)19-14-6-4-13(17)5-7-14/h4-7,12,18,21H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide?
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide is sourced from PubChem (CID 65120579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).