2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide

C17H26N2O2 — CID 65120899

IUPAC2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
SMILESCC1(C)CCC(O)(CNCc2ccccc2C(N)=O)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2)7-9-17(21,10-8-16)12-19-11-13-5-3-4-6-14(13)15(18)20/h3-6,19,21H,7-12H2,1-2H3,(H2,18,20)
InChIKeyVGSBIKKESDTNED-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds5

About 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide

2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide (PubChem CID 65120899) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
PubChem CID65120899
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
SMILESCC1(C)CCC(O)(CNCc2ccccc2C(N)=O)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2)7-9-17(21,10-8-16)12-19-11-13-5-3-4-6-14(13)15(18)20/h3-6,19,21H,7-12H2,1-2H3,(H2,18,20)
InChIKeyVGSBIKKESDTNED-UHFFFAOYSA-N
XLogP2.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039
2-[(benzylamino)methyl]benzamide
CID 22341819
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide?
The IUPAC name of 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide (CID 65120899) is 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide is CC1(C)CCC(O)(CNCc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide?
The InChIKey is VGSBIKKESDTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)7-9-17(21,10-8-16)12-19-11-13-5-3-4-6-14(13)15(18)20/h3-6,19,21H,7-12H2,1-2H3,(H2,18,20).
What are the key properties of 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide?
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide is sourced from PubChem (CID 65120899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).