N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide

C20H22N2O6 — CID 110370718

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1ccccc1OCC(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O6/c1-25-15-4-2-3-5-16(15)28-13-20(24)21-9-8-19(23)22-14-6-7-17-18(12-14)27-11-10-26-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyYHMSCIVCCFSCME-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.99
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide (PubChem CID 110370718) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
PubChem CID110370718
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1ccccc1OCC(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O6/c1-25-15-4-2-3-5-16(15)28-13-20(24)21-9-8-19(23)22-14-6-7-17-18(12-14)27-11-10-26-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyYHMSCIVCCFSCME-UHFFFAOYSA-N
XLogP1.99
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027867
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921
1-(1,3-benzodioxol-5-yl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971485
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 113091617

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide (CID 110370718) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide is COc1ccccc1OCC(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is YHMSCIVCCFSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-25-15-4-2-3-5-16(15)28-13-20(24)21-9-8-19(23)22-14-6-7-17-18(12-14)27-11-10-26-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 386.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 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)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 110370718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).