N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide

C14H28N2O2 — CID 66090208

IUPACN-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCC(C)CCO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(6-9-17)11-16-13(18)10-14(15-2)7-4-3-5-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyXNPVOTKYBPYNFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 66090208) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID66090208
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCC(C)CCO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(6-9-17)11-16-13(18)10-14(15-2)7-4-3-5-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyXNPVOTKYBPYNFE-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
CID 81169665
N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240439
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 106286627
N-(2-hydroxy-3-methoxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242526
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240571
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 66090208) is N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NCC(C)CCO)CCCCC1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is XNPVOTKYBPYNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(6-9-17)11-16-13(18)10-14(15-2)7-4-3-5-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 66090208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).