2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide

C14H28N2O2 — CID 104934416

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC1CCCCC1CO
InChIInChI=1S/C14H28N2O2/c1-4-14(2,3)16-13(18)9-15-12-8-6-5-7-11(12)10-17/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyBQHOBWIYGNIVEB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds6

About 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide

2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 104934416) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID104934416
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC1CCCCC1CO
InChIInChI=1S/C14H28N2O2/c1-4-14(2,3)16-13(18)9-15-12-8-6-5-7-11(12)10-17/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyBQHOBWIYGNIVEB-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[2-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 104934417
2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-pentan-2-ylacetamide
CID 106360724
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
N-tert-butyl-2-[(2-methylcyclohexyl)amino]acetamide
CID 43179946
N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 99611784
N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
CID 106360754
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide (CID 104934416) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNC1CCCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is BQHOBWIYGNIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(2,3)16-13(18)9-15-12-8-6-5-7-11(12)10-17/h11-12,15,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide?
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 104934416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).