N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide

C12H15NO3 — CID 15033690

IUPACN-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
SMILESCC(=O)Nc1cccc2c1OCCCCO2
InChIInChI=1S/C12H15NO3/c1-9(14)13-10-5-4-6-11-12(10)16-8-3-2-7-15-11/h4-6H,2-3,7-8H2,1H3,(H,13,14)
InChIKeyFSPIJNPEKAUBCB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.20
Rot. Bonds1

About N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide

N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide (PubChem CID 15033690) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
PubChem CID15033690
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
SMILESCC(=O)Nc1cccc2c1OCCCCO2
InChIInChI=1S/C12H15NO3/c1-9(14)13-10-5-4-6-11-12(10)16-8-3-2-7-15-11/h4-6H,2-3,7-8H2,1H3,(H,13,14)
InChIKeyFSPIJNPEKAUBCB-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114
N-dibenzo-p-dioxin-1-ylacetamide
CID 13308325
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-phenylthiophene-2-carboxamide
CID 167961336
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
CID 21228924
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073
1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 60545632
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-piperidin-4-yl-1-propylurea
CID 166248880
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride
CID 119298938

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide (CID 15033690) is N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide is CC(=O)Nc1cccc2c1OCCCCO2.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide?
The InChIKey is FSPIJNPEKAUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)13-10-5-4-6-11-12(10)16-8-3-2-7-15-11/h4-6H,2-3,7-8H2,1H3,(H,13,14).
What are the key properties of N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide?
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide has a molecular weight of 221.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide is sourced from PubChem (CID 15033690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).