2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

C16H24N2O3 — CID 107075481

IUPAC2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)5-7-16(21,8-6-15)10-18-14(20)12-9-11(19)3-4-13(12)17/h3-4,9,19,21H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyJCZFEMWYCQHGHZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (PubChem CID 107075481) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
PubChem CID107075481
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)5-7-16(21,8-6-15)10-18-14(20)12-9-11(19)3-4-13(12)17/h3-4,9,19,21H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyJCZFEMWYCQHGHZ-UHFFFAOYSA-N
XLogP2.04
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
2-amino-5-hydroxy-N-[[1-(2-methylpropyl)cyclopentyl]methyl]benzamide
CID 107075669
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (CID 107075481) is 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is CC1(C)CCC(O)(CNC(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The InChIKey is JCZFEMWYCQHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2)5-7-16(21,8-6-15)10-18-14(20)12-9-11(19)3-4-13(12)17/h3-4,9,19,21H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 107075481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).