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

C20H23NO4 — CID 110767511

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)Cc1ccc2c(c1)OCCCO2
InChIInChI=1S/C20H23NO4/c1-14(2)25-17-7-4-3-6-16(17)21-20(22)13-15-8-9-18-19(12-15)24-11-5-10-23-18/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22)
InChIKeyORKMYKLZIYIFSI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.82
Rot. Bonds5

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

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 110767511) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID110767511
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)Cc1ccc2c(c1)OCCCO2
InChIInChI=1S/C20H23NO4/c1-14(2)25-17-7-4-3-6-16(17)21-20(22)13-15-8-9-18-19(12-15)24-11-5-10-23-18/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22)
InChIKeyORKMYKLZIYIFSI-UHFFFAOYSA-N
XLogP3.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 38999351
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109040119
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371471
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
CID 171667119
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 7976711

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide (CID 110767511) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)Cc1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is ORKMYKLZIYIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)25-17-7-4-3-6-16(17)21-20(22)13-15-8-9-18-19(12-15)24-11-5-10-23-18/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 110767511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).