2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide

C16H17N3O4 — CID 26416386

IUPAC2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11-7-8-12(14(9-11)19(21)22)18-16(20)10-17-13-5-3-4-6-15(13)23-2/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyFPOYVILGTABQKJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.96
Rot. Bonds6

About 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide

2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 26416386) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID26416386
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11-7-8-12(14(9-11)19(21)22)18-16(20)10-17-13-5-3-4-6-15(13)23-2/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyFPOYVILGTABQKJ-UHFFFAOYSA-N
XLogP2.96
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
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-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide (CID 26416386) is 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide is COc1ccccc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is FPOYVILGTABQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-7-8-12(14(9-11)19(21)22)18-16(20)10-17-13-5-3-4-6-15(13)23-2/h3-9,17H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 26416386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).