2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide

C17H19N3O4 — CID 7410350

IUPAC2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O4/c1-3-19(15-9-4-5-10-16(15)20(22)23)12-17(21)18-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,18,21)
InChIKeyWHHMXPMCVQEKOX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.07
Rot. Bonds7

About 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide

2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 7410350) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID7410350
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O4/c1-3-19(15-9-4-5-10-16(15)20(22)23)12-17(21)18-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,18,21)
InChIKeyWHHMXPMCVQEKOX-UHFFFAOYSA-N
XLogP3.07
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
CID 9113931
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7769709
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 9344187
4-ethoxy-N-ethyl-5-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-nitrobenzamide
CID 34778054
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704946

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide (CID 7410350) is 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is WHHMXPMCVQEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-19(15-9-4-5-10-16(15)20(22)23)12-17(21)18-13-7-6-8-14(11-13)24-2/h4-11H,3,12H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide?
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7410350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).