N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H22N2O4 — CID 115949183

IUPACN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc2c(cc1N)OCCCO2
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-9-14(18)17-11-8-13-12(7-10(11)16)19-5-4-6-20-13/h7-8H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyLPJRCRCALLRGLB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.18
Rot. Bonds3

About N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949183) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949183
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cc2c(cc1N)OCCCO2
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-9-14(18)17-11-8-13-12(7-10(11)16)19-5-4-6-20-13/h7-8H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyLPJRCRCALLRGLB-UHFFFAOYSA-N
XLogP2.18
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2970691
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
CID 940003
2-Oxo-2-[(3,4,5-trimethoxyphenyl)amino]ethyl acetate
CID 1252029
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2355138
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] acetate
CID 2495005
Acetamide, N-(2-amino-4-ethoxyphenyl)-
CID 105400
N-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3146107
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 868062
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2445974
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
CID 6498967
Acetamide, N-[2-amino-4-(pentyloxy)phenyl]-
CID 44149925

Frequently Asked Questions

What is the IUPAC name of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949183) is N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cc2c(cc1N)OCCCO2.
What is the InChIKey of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LPJRCRCALLRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-9-14(18)17-11-8-13-12(7-10(11)16)19-5-4-6-20-13/h7-8H,4-6,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).