N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide

C22H22N2O3 — CID 8593215

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-24(19-9-7-16-5-2-3-6-17(16)13-19)15-22(25)23-18-8-10-20-21(14-18)27-12-4-11-26-20/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,23,25)
InChIKeyWIYIQYJYFYZULT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.08
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide (PubChem CID 8593215) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
PubChem CID8593215
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-24(19-9-7-16-5-2-3-6-17(16)13-19)15-22(25)23-18-8-10-20-21(14-18)27-12-4-11-26-20/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,23,25)
InChIKeyWIYIQYJYFYZULT-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 8593205
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 51199817
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[methyl(naphthalen-2-yl)amino]ethanone
CID 9348494
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylsulfanylacetamide
CID 26712232
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide (CID 8593215) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
The InChIKey is WIYIQYJYFYZULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-24(19-9-7-16-5-2-3-6-17(16)13-19)15-22(25)23-18-8-10-20-21(14-18)27-12-4-11-26-20/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide is sourced from PubChem (CID 8593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).