2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide

C16H14N2O7 — CID 17310218

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O7/c1-22-13-4-2-10(18(20)21)6-12(13)17-16(19)8-23-11-3-5-14-15(7-11)25-9-24-14/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyNAROKDAQOOYLRJ-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.35
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 17310218) has the molecular formula C16H14N2O7 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID17310218
Molecular FormulaC16H14N2O7
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O7/c1-22-13-4-2-10(18(20)21)6-12(13)17-16(19)8-23-11-3-5-14-15(7-11)25-9-24-14/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyNAROKDAQOOYLRJ-UHFFFAOYSA-N
XLogP2.35
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 17310210
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17359381
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
2-(1,3-benzodioxol-5-yloxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4112461
2-(1,3-benzodioxol-5-yloxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 136864514
1,3-benzodioxol-5-ylmethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8746296
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853551

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 17310218) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is NAROKDAQOOYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O7/c1-22-13-4-2-10(18(20)21)6-12(13)17-16(19)8-23-11-3-5-14-15(7-11)25-9-24-14/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 346.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 17310218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).