2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate

C18H22NO5- — CID 7440488

IUPAC2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2ccc3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C18H23NO5/c20-16(11-18(12-17(21)22)6-2-1-3-7-18)19-13-4-5-14-15(10-13)24-9-8-23-14/h4-5,10H,1-3,6-9,11-12H2,(H,19,20)(H,21,22)/p-1
InChIKeyZUQPLFOVTMCDNY-UHFFFAOYSA-M
MW332.38 g/mol
LogP1.88
Rot. Bonds5

About 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate

2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate (PubChem CID 7440488) has the molecular formula C18H22NO5- and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
PubChem CID7440488
Molecular FormulaC18H22NO5-
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2ccc3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C18H23NO5/c20-16(11-18(12-17(21)22)6-2-1-3-7-18)19-13-4-5-14-15(10-13)24-9-8-23-14/h4-5,10H,1-3,6-9,11-12H2,(H,19,20)(H,21,22)/p-1
InChIKeyZUQPLFOVTMCDNY-UHFFFAOYSA-M
XLogP1.88
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431787
2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
CID 6927801
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
1-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 51224356

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate?
The IUPAC name of 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate (CID 7440488) is 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate.
What is the SMILES notation for 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate?
The canonical SMILES for 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate is O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)OCCO3)CCCCC1.
What is the InChIKey of 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate?
The InChIKey is ZUQPLFOVTMCDNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23NO5/c20-16(11-18(12-17(21)22)6-2-1-3-7-18)19-13-4-5-14-15(10-13)24-9-8-23-14/h4-5,10H,1-3,6-9,11-12H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate?
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate has a molecular weight of 332.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate is sourced from PubChem (CID 7440488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).