2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide

C19H21N3O5 — CID 9113931

IUPAC2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-21(12-19(24)20-15-6-8-16(27-3)9-7-15)17-10-5-14(13(2)23)11-18(17)22(25)26/h5-11H,4,12H2,1-3H3,(H,20,24)
InChIKeyKGTAMRKPIYETBC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.27
Rot. Bonds8

About 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide

2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 9113931) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID9113931
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-21(12-19(24)20-15-6-8-16(27-3)9-7-15)17-10-5-14(13(2)23)11-18(17)22(25)26/h5-11H,4,12H2,1-3H3,(H,20,24)
InChIKeyKGTAMRKPIYETBC-UHFFFAOYSA-N
XLogP3.27
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.27
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

4-(dimethylamino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9431432
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
2-(N-ethyl-2,4-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 60524860
1-[4-[ethyl(2-methylpropyl)amino]-3-nitrophenyl]ethanone
CID 43247588
2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
CID 55346842
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113458
1-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-nitrophenyl]ethanone
CID 55393971
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
2-(4-acetyl-N-methyl-2-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9181628
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide (CID 9113931) is 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is KGTAMRKPIYETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-21(12-19(24)20-15-6-8-16(27-3)9-7-15)17-10-5-14(13(2)23)11-18(17)22(25)26/h5-11H,4,12H2,1-3H3,(H,20,24).
What are the key properties of 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide?
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9113931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).