2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide

C14H20N2O2 — CID 107211262

IUPAC2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1N
InChIInChI=1S/C14H20N2O2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8,15H2,1H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyZQEZAUBFXXKNCR-RYUDHWBXSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide (PubChem CID 107211262) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
PubChem CID107211262
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1N
InChIInChI=1S/C14H20N2O2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8,15H2,1H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyZQEZAUBFXXKNCR-RYUDHWBXSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
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-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
CID 135309339
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide (CID 107211262) is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1N.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide?
The InChIKey is ZQEZAUBFXXKNCR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8,15H2,1H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide?
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide is sourced from PubChem (CID 107211262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).