N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide

C17H18N2O6 — CID 30156792

IUPACN-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1
InChIInChI=1S/C17H18N2O6/c1-3-24-13-6-4-12(5-7-13)18-17(20)11-25-14-8-9-15(19(21)22)16(10-14)23-2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyGPWIGAMDXBOYSU-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.02
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide

N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide (PubChem CID 30156792) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
PubChem CID30156792
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1
InChIInChI=1S/C17H18N2O6/c1-3-24-13-6-4-12(5-7-13)18-17(20)11-25-14-8-9-15(19(21)22)16(10-14)23-2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyGPWIGAMDXBOYSU-UHFFFAOYSA-N
XLogP3.02
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
methyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122444
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
2-(3-methoxy-4-nitrophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 95164929
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide (CID 30156792) is N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide is CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The InChIKey is GPWIGAMDXBOYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-3-24-13-6-4-12(5-7-13)18-17(20)11-25-14-8-9-15(19(21)22)16(10-14)23-2/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide has a molecular weight of 346.34 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide is sourced from PubChem (CID 30156792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).