N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide

C15H28N2O2 — CID 107221672

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N[C@H]2CCCC[C@@H]2O)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18/h12-13,16,18H,2-11H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyXPMZLBIZXJTMLI-STQMWFEESA-N
MW268.40 g/mol
LogP1.72
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 107221672) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID107221672
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N[C@H]2CCCC[C@@H]2O)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18/h12-13,16,18H,2-11H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyXPMZLBIZXJTMLI-STQMWFEESA-N
XLogP1.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241761
2-(1-aminocyclopentyl)-N-(2-hydroxycyclohexyl)acetamide
CID 64677437
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240476
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide (CID 107221672) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)N[C@H]2CCCC[C@@H]2O)CCCCC1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is XPMZLBIZXJTMLI-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-15(9-5-2-6-10-15)11-14(19)17-12-7-3-4-8-13(12)18/h12-13,16,18H,2-11H2,1H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.72, 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-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 107221672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).