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

C20H22N2O3 — CID 4824402

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C20H22N2O3/c1-14-11-15-5-2-3-6-17(15)22(14)13-20(23)21-16-7-8-18-19(12-16)25-10-4-9-24-18/h2-3,5-8,12,14H,4,9-11,13H2,1H3,(H,21,23)
InChIKeyCXTLFNSOOQPOCR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds3

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 4824402) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID4824402
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C20H22N2O3/c1-14-11-15-5-2-3-6-17(15)22(14)13-20(23)21-16-7-8-18-19(12-16)25-10-4-9-24-18/h2-3,5-8,12,14H,4,9-11,13H2,1H3,(H,21,23)
InChIKeyCXTLFNSOOQPOCR-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(3,4-dimethoxyphenyl)-2-methyl-1-indolinecarbothioamide
CID 2957378
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 4880364
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
CID 4883620
2-[[2-(2-butan-2-ylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4963837
phenylmethyl 2-(N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)carbamoyl)pyrrolidinecarbo xylate
CID 2876217
7,8-diethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 9858430
1-[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-phenethylamino-1H-pyrazin-2-one
CID 23658492
N-(3-butoxy-4-methoxyphenyl)-2-phenylpyrrolidine-1-carboxamide
CID 71450414

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 4824402) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is CC1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is CXTLFNSOOQPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-11-15-5-2-3-6-17(15)22(14)13-20(23)21-16-7-8-18-19(12-16)25-10-4-9-24-18/h2-3,5-8,12,14H,4,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 3 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-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 4824402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).