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

C16H23BrN2O2 — CID 65116145

IUPACN-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
SMILESCC1CCC(O)(CNCC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-12-6-8-16(21,9-7-12)11-18-10-15(20)19-14-5-3-2-4-13(14)17/h2-5,12,18,21H,6-11H2,1H3,(H,19,20)
InChIKeyQKYNYHGGQJKGIT-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.92
Rot. Bonds5

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

N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide (PubChem CID 65116145) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
PubChem CID65116145
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
SMILESCC1CCC(O)(CNCC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-12-6-8-16(21,9-7-12)11-18-10-15(20)19-14-5-3-2-4-13(14)17/h2-5,12,18,21H,6-11H2,1H3,(H,19,20)
InChIKeyQKYNYHGGQJKGIT-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-(2-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120471
N-(2-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418229
N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63994904
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530
N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760787
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide (CID 65116145) is N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide is CC1CCC(O)(CNCC(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide?
The InChIKey is QKYNYHGGQJKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-6-8-16(21,9-7-12)11-18-10-15(20)19-14-5-3-2-4-13(14)17/h2-5,12,18,21H,6-11H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(1-hydroxy-4-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-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide is sourced from PubChem (CID 65116145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).