N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide

C20H24N2O6 — CID 17417729

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(CCCN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C20H24N2O6/c1-21(12-6-7-15-10-11-18(26-2)19(13-15)27-3)20(23)14-28-17-9-5-4-8-16(17)22(24)25/h4-5,8-11,13H,6-7,12,14H2,1-3H3
InChIKeyARCAXCFGNXJQHU-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.08
Rot. Bonds10

About N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide

N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide (PubChem CID 17417729) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide
PubChem CID17417729
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(CCCN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C20H24N2O6/c1-21(12-6-7-15-10-11-18(26-2)19(13-15)27-3)20(23)14-28-17-9-5-4-8-16(17)22(24)25/h4-5,8-11,13H,6-7,12,14H2,1-3H3
InChIKeyARCAXCFGNXJQHU-UHFFFAOYSA-N
XLogP3.08
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
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

3-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170866225
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(2-chloro-4-nitrophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 4784990
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18111557
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitropyridin-1-ium-2-amine
CID 9311779
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide (CID 17417729) is N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide is COc1ccc(CCCN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide?
The InChIKey is ARCAXCFGNXJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-21(12-6-7-15-10-11-18(26-2)19(13-15)27-3)20(23)14-28-17-9-5-4-8-16(17)22(24)25/h4-5,8-11,13H,6-7,12,14H2,1-3H3.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 17417729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).