4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide

C22H26N2O7 — CID 55909030

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
SMILESCCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O7/c1-4-15(13-5-6-16-17(9-13)30-8-7-29-16)24-22(26)14-10-18(27-2)21(19(11-14)28-3)31-12-20(23)25/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyVRNRPSULROFOCC-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.22
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide (PubChem CID 55909030) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
PubChem CID55909030
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
SMILESCCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O7/c1-4-15(13-5-6-16-17(9-13)30-8-7-29-16)24-22(26)14-10-18(27-2)21(19(11-14)28-3)31-12-20(23)25/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyVRNRPSULROFOCC-UHFFFAOYSA-N
XLogP2.22
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide with MolForge

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55953201
4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
CID 55429630
4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 129467448
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119182132
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55360581
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55907732

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide (CID 55909030) is 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide is CCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide?
The InChIKey is VRNRPSULROFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-4-15(13-5-6-16-17(9-13)30-8-7-29-16)24-22(26)14-10-18(27-2)21(19(11-14)28-3)31-12-20(23)25/h5-6,9-11,15H,4,7-8,12H2,1-3H3,(H2,23,25)(H,24,26).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide has a molecular weight of 430.46 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55909030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).