2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide

C13H26N2O2 — CID 106135166

IUPAC2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-3-13(14,4-2)12(17)15-9-10-6-5-7-11(16)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyLKNRYLDSCVBIQS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide

2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide (PubChem CID 106135166) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
PubChem CID106135166
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-3-13(14,4-2)12(17)15-9-10-6-5-7-11(16)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyLKNRYLDSCVBIQS-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(3-hydroxycyclohexyl)methyl]-2-methylpentanamide
CID 119050611
2-amino-3,3,3-trifluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 79812250
2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106132061
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114147708
2-amino-3,3,3-trifluoro-N-[(3-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114148188
2-amino-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 15042050
2-amino-N-[2-(2-hydroxycyclohexyl)ethyl]acetamide
CID 19816231
N-(2-amino-2-methylpropyl)-2-(2-hydroxycyclohexyl)acetamide
CID 19816303
2-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 21652806
2-amino-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 24690976
(2R)-2-amino-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 28172770

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide (CID 106135166) is 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide is CCC(N)(CC)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is LKNRYLDSCVBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(14,4-2)12(17)15-9-10-6-5-7-11(16)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide?
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 106135166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).