2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide

C17H26N2O3 — CID 110922665

IUPAC2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1CNCC1(O)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-18-16(20)12-22-15-8-4-3-7-14(15)11-19-13-17(21)9-5-2-6-10-17/h3-4,7-8,19,21H,2,5-6,9-13H2,1H3,(H,18,20)
InChIKeyYLMHCKLLLZLGGB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.60
Rot. Bonds7

About 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide

2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide (PubChem CID 110922665) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
PubChem CID110922665
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1CNCC1(O)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-18-16(20)12-22-15-8-4-3-7-14(15)11-19-13-17(21)9-5-2-6-10-17/h3-4,7-8,19,21H,2,5-6,9-13H2,1H3,(H,18,20)
InChIKeyYLMHCKLLLZLGGB-UHFFFAOYSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208762
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 111331235

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide (CID 110922665) is 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccccc1CNCC1(O)CCCCC1.
What is the InChIKey of 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide?
The InChIKey is YLMHCKLLLZLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18-16(20)12-22-15-8-4-3-7-14(15)11-19-13-17(21)9-5-2-6-10-17/h3-4,7-8,19,21H,2,5-6,9-13H2,1H3,(H,18,20).
What are the key properties of 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide?
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide has a molecular weight of 306.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 110922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).