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

C13H18N2O2 — CID 107211397

IUPAC3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C13H18N2O2/c14-10-5-3-4-9(8-10)13(17)15-11-6-1-2-7-12(11)16/h3-5,8,11-12,16H,1-2,6-7,14H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyJQPPIVFYKMKEHA-VXGBXAGGSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds2

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

3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 107211397) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID107211397
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C13H18N2O2/c14-10-5-3-4-9(8-10)13(17)15-11-6-1-2-7-12(11)16/h3-5,8,11-12,16H,1-2,6-7,14H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyJQPPIVFYKMKEHA-VXGBXAGGSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
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

3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 107211397) is 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is JQPPIVFYKMKEHA-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-5-3-4-9(8-10)13(17)15-11-6-1-2-7-12(11)16/h3-5,8,11-12,16H,1-2,6-7,14H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 107211397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).