3-[(4-aminocyclohexyl)oxymethyl]benzamide

C14H20N2O2 — CID 62807395

IUPAC3-[(4-aminocyclohexyl)oxymethyl]benzamide
SMILESNC(=O)c1cccc(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-3,8,12-13H,4-7,9,15H2,(H2,16,17)
InChIKeySTFPPUYZROUKKS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds4

About 3-[(4-aminocyclohexyl)oxymethyl]benzamide

3-[(4-aminocyclohexyl)oxymethyl]benzamide (PubChem CID 62807395) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)oxymethyl]benzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)oxymethyl]benzamide
PubChem CID62807395
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(4-aminocyclohexyl)oxymethyl]benzamide
SMILESNC(=O)c1cccc(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-3,8,12-13H,4-7,9,15H2,(H2,16,17)
InChIKeySTFPPUYZROUKKS-UHFFFAOYSA-N
XLogP1.57
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
CID 106825421
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123742636
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451068
3-(oxetan-3-yloxymethyl)benzohydrazide
CID 102608436
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)oxymethyl]benzamide?
The IUPAC name of 3-[(4-aminocyclohexyl)oxymethyl]benzamide (CID 62807395) is 3-[(4-aminocyclohexyl)oxymethyl]benzamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)oxymethyl]benzamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)oxymethyl]benzamide is NC(=O)c1cccc(COC2CCC(N)CC2)c1.
What is the InChIKey of 3-[(4-aminocyclohexyl)oxymethyl]benzamide?
The InChIKey is STFPPUYZROUKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-3,8,12-13H,4-7,9,15H2,(H2,16,17).
What are the key properties of 3-[(4-aminocyclohexyl)oxymethyl]benzamide?
3-[(4-aminocyclohexyl)oxymethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)oxymethyl]benzamide is sourced from PubChem (CID 62807395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).