N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide

C23H28N2O6 — CID 43008580

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide
SMILESCCCOc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H28N2O6/c1-3-11-28-18-6-8-19(9-7-18)31-16-23(27)25(4-2)15-22(26)24-17-5-10-20-21(14-17)30-13-12-29-20/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,24,26)
InChIKeyGIFWJJSCVYJCLZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.11
Rot. Bonds10

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide (PubChem CID 43008580) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide
PubChem CID43008580
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide
SMILESCCCOc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H28N2O6/c1-3-11-28-18-6-8-19(9-7-18)31-16-23(27)25(4-2)15-22(26)24-17-5-10-20-21(14-17)30-13-12-29-20/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,24,26)
InChIKeyGIFWJJSCVYJCLZ-UHFFFAOYSA-N
XLogP3.11
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(3-bromophenoxy)acetyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46603928
2-(cyclopropylmethylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide;hydrochloride
CID 119682035
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 43008615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbut-2-enamide
CID 43053110
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 27833410
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylpentanamide
CID 119682062
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide (CID 43008580) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide is CCCOc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide?
The InChIKey is GIFWJJSCVYJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-3-11-28-18-6-8-19(9-7-18)31-16-23(27)25(4-2)15-22(26)24-17-5-10-20-21(14-17)30-13-12-29-20/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-(4-propoxyphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 43008580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).