N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide

C19H18N2O4 — CID 167888440

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide
SMILESO=C(COc1ccc2[nH]ccc2c1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H18N2O4/c22-19(12-25-15-3-4-16-13(10-15)6-7-20-16)21-14-2-5-17-18(11-14)24-9-1-8-23-17/h2-7,10-11,20H,1,8-9,12H2,(H,21,22)
InChIKeySOTXTGSIWWNDSL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.35
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide (PubChem CID 167888440) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide
PubChem CID167888440
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide
SMILESO=C(COc1ccc2[nH]ccc2c1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H18N2O4/c22-19(12-25-15-3-4-16-13(10-15)6-7-20-16)21-14-2-5-17-18(11-14)24-9-1-8-23-17/h2-7,10-11,20H,1,8-9,12H2,(H,21,22)
InChIKeySOTXTGSIWWNDSL-UHFFFAOYSA-N
XLogP3.35
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
2-(3-fluorophenoxy)-N-(1H-indol-5-yl)acetamide
CID 110730759
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid
CID 2809500
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
2-(4-fluorophenoxy)-N-(1H-indol-6-yl)acetamide
CID 110730844
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 18206805
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide (CID 167888440) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide is O=C(COc1ccc2[nH]ccc2c1)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide?
The InChIKey is SOTXTGSIWWNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-19(12-25-15-3-4-16-13(10-15)6-7-20-16)21-14-2-5-17-18(11-14)24-9-1-8-23-17/h2-7,10-11,20H,1,8-9,12H2,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 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-(1H-indol-5-yloxy)acetamide is sourced from PubChem (CID 167888440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).