3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C13H18N2O3 — CID 45086848

IUPAC3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1O
InChIInChI=1S/C13H18N2O3/c14-9-5-3-4-8(12(9)17)13(18)15-10-6-1-2-7-11(10)16/h3-5,10-11,16-17H,1-2,6-7,14H2,(H,15,18)/t10-,11-/m1/s1
InChIKeyXPXUYJQXKXMGAS-GHMZBOCLSA-N
MW250.30 g/mol
LogP1.01
Rot. Bonds2

About 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 45086848) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID45086848
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1O
InChIInChI=1S/C13H18N2O3/c14-9-5-3-4-8(12(9)17)13(18)15-10-6-1-2-7-11(10)16/h3-5,10-11,16-17H,1-2,6-7,14H2,(H,15,18)/t10-,11-/m1/s1
InChIKeyXPXUYJQXKXMGAS-GHMZBOCLSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 45086848) is 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is XPXUYJQXKXMGAS-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-5-3-4-8(12(9)17)13(18)15-10-6-1-2-7-11(10)16/h3-5,10-11,16-17H,1-2,6-7,14H2,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 45086848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).