N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide

C17H18N2O3 — CID 37467922

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-13(9-12)18-11-17(20)19-14-5-6-15-16(10-14)22-8-7-21-15/h2-6,9-10,18H,7-8,11H2,1H3,(H,19,20)
InChIKeyYEBVZLBMKHWUQT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.82
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide (PubChem CID 37467922) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
PubChem CID37467922
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-13(9-12)18-11-17(20)19-14-5-6-15-16(10-14)22-8-7-21-15/h2-6,9-10,18H,7-8,11H2,1H3,(H,19,20)
InChIKeyYEBVZLBMKHWUQT-UHFFFAOYSA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110344578
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906832
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956149
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide (CID 37467922) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide?
The InChIKey is YEBVZLBMKHWUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-3-2-4-13(9-12)18-11-17(20)19-14-5-6-15-16(10-14)22-8-7-21-15/h2-6,9-10,18H,7-8,11H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide is sourced from PubChem (CID 37467922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).