N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide

C16H24N2O2 — CID 107223849

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H24N2O2/c1-11(2)17-13-8-4-3-7-12(13)16(20)18-14-9-5-6-10-15(14)19/h3-4,7-8,11,14-15,17,19H,5-6,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyWNGASDTWFZCEJJ-GJZGRUSLSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide (PubChem CID 107223849) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
PubChem CID107223849
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H24N2O2/c1-11(2)17-13-8-4-3-7-12(13)16(20)18-14-9-5-6-10-15(14)19/h3-4,7-8,11,14-15,17,19H,5-6,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyWNGASDTWFZCEJJ-GJZGRUSLSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62361158
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
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide
CID 104957142

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide (CID 107223849) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is WNGASDTWFZCEJJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)17-13-8-4-3-7-12(13)16(20)18-14-9-5-6-10-15(14)19/h3-4,7-8,11,14-15,17,19H,5-6,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 107223849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).