(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide

C12H24N2O2 — CID 102631964

IUPAC(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14(3)9-6-4-5-7-10(9)15/h8-11,15H,4-7,13H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyDBVBHXUCDWXOAQ-VQXHTEKXSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide

(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide (PubChem CID 102631964) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
PubChem CID102631964
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14(3)9-6-4-5-7-10(9)15/h8-11,15H,4-7,13H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyDBVBHXUCDWXOAQ-VQXHTEKXSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
N-(2-hydroxycyclohexyl)-N,2-dimethylpentanamide
CID 102634854
N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 102632043
3-amino-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylpropanamide
CID 106114022
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757
benzyl N-[2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]cyclohexyl]carbamate
CID 66564953
2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
CID 59011420
5-amino-N-(2-hydroxycyclohexyl)-N,4-dimethylpentanamide
CID 102631912
2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
CID 102632097
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide (CID 102631964) is (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)C1CCCCC1O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide?
The InChIKey is DBVBHXUCDWXOAQ-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14(3)9-6-4-5-7-10(9)15/h8-11,15H,4-7,13H2,1-3H3/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide?
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 102631964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).