2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C19H22N2O8 — CID 48850427

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O8/c1-25-15-9-13(5-6-14(15)21(23)24)29-11-18(22)20-10-12-7-16(26-2)19(28-4)17(8-12)27-3/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyJBJZUZYJEYERSP-UHFFFAOYSA-N
MW406.39 g/mol
LogP2.32
Rot. Bonds10

About 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 48850427) has the molecular formula C19H22N2O8 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID48850427
Molecular FormulaC19H22N2O8
Molecular Weight406.39 g/mol
Exact Mass406.14
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O8/c1-25-15-9-13(5-6-14(15)21(23)24)29-11-18(22)20-10-12-7-16(26-2)19(28-4)17(8-12)27-3/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyJBJZUZYJEYERSP-UHFFFAOYSA-N
XLogP2.32
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 100517226
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700763
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 48850427) is 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is JBJZUZYJEYERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O8/c1-25-15-9-13(5-6-14(15)21(23)24)29-11-18(22)20-10-12-7-16(26-2)19(28-4)17(8-12)27-3/h5-9H,10-11H2,1-4H3,(H,20,22).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 48850427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).