2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H18N2O5 — CID 4783262

IUPAC2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3CC2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O5/c1-12-9-13-5-3-4-6-15(13)19(12)18(21)11-25-17-8-7-14(24-2)10-16(17)20(22)23/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKFYRGQSQUKQIPK-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 4783262) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID4783262
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3CC2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O5/c1-12-9-13-5-3-4-6-15(13)19(12)18(21)11-25-17-8-7-14(24-2)10-16(17)20(22)23/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKFYRGQSQUKQIPK-UHFFFAOYSA-N
XLogP2.96
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
N-(2,5-dimethoxyphenyl)-2-((6-(indolin-1-ylmethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 18575677
Methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
CID 44589471
2-[2-(4-Methoxy-2-nitrophenoxy)ethyl]isoindole-1,3-dione
CID 7548995
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 3550513
1-(2,3-Dihydroindol-1-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone
CID 4826522
2-[3-(Diethylamino)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 16253095
1-[(4-Nitrophenoxy)acetyl]indoline
CID 675683
1-[(4-Methoxyphenoxy)acetyl]indoline
CID 774457
2-Methyl-1-[(4-methylphenoxy)acetyl]indoline
CID 2988115
2-Methyl-1-(2-phenoxypropanoyl)indoline
CID 2995987
2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2565839

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 4783262) is 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is COc1ccc(OCC(=O)N2c3ccccc3CC2C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is KFYRGQSQUKQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12-9-13-5-3-4-6-15(13)19(12)18(21)11-25-17-8-7-14(24-2)10-16(17)20(22)23/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 342.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 4783262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).