N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide

C16H16N2O6 — CID 2500616

IUPACN-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H16N2O6/c1-22-14-8-7-11(9-15(14)23-2)17-16(19)10-24-13-6-4-3-5-12(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyGEZMRUCPGURBKG-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.63
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide

N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 2500616) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID2500616
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H16N2O6/c1-22-14-8-7-11(9-15(14)23-2)17-16(19)10-24-13-6-4-3-5-12(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyGEZMRUCPGURBKG-UHFFFAOYSA-N
XLogP2.63
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.63
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-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide (CID 2500616) is N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide is COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is GEZMRUCPGURBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-14-8-7-11(9-15(14)23-2)17-16(19)10-24-13-6-4-3-5-12(13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 332.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).