N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide

C15H22N2O4 — CID 115609551

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
SMILESCOCC(C)(C)NCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-15(2,10-19-3)16-9-14(18)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyCNVUYRQKUXURNF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide (PubChem CID 115609551) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
PubChem CID115609551
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
SMILESCOCC(C)(C)NCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-15(2,10-19-3)16-9-14(18)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyCNVUYRQKUXURNF-UHFFFAOYSA-N
XLogP1.41
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748
N-(4-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 113276454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
CID 110673536
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463651
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide (CID 115609551) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide is COCC(C)(C)NCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide?
The InChIKey is CNVUYRQKUXURNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,10-19-3)16-9-14(18)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 115609551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).