N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

C17H23NO4 — CID 24534220

IUPACN-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCCO2)NCC1CCCCC1
InChIInChI=1S/C17H23NO4/c19-17(18-11-13-4-2-1-3-5-13)12-22-14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13H,1-5,8-9,11-12H2,(H,18,19)
InChIKeyNMWJMYHMRMNPDK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.53
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (PubChem CID 24534220) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
PubChem CID24534220
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCCO2)NCC1CCCCC1
InChIInChI=1S/C17H23NO4/c19-17(18-11-13-4-2-1-3-5-13)12-22-14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13H,1-5,8-9,11-12H2,(H,18,19)
InChIKeyNMWJMYHMRMNPDK-UHFFFAOYSA-N
XLogP2.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580285
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
CID 98066069
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 3572443
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
CID 7081819
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate
CID 18268679
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (CID 24534220) is N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is O=C(COc1ccc2c(c1)OCCO2)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The InChIKey is NMWJMYHMRMNPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-17(18-11-13-4-2-1-3-5-13)12-22-14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13H,1-5,8-9,11-12H2,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is sourced from PubChem (CID 24534220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).