2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide

C17H19N3O4 — CID 8761647

IUPAC2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O4/c1-19(11-13-6-8-16(24-2)9-7-13)12-17(21)18-14-4-3-5-15(10-14)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)
InChIKeyMHTRRCAXKPATJE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.67
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide

2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide (PubChem CID 8761647) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
PubChem CID8761647
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O4/c1-19(11-13-6-8-16(24-2)9-7-13)12-17(21)18-14-4-3-5-15(10-14)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)
InChIKeyMHTRRCAXKPATJE-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8778343
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 9104098
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 78840441
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide (CID 8761647) is 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide is COc1ccc(CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide?
The InChIKey is MHTRRCAXKPATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19(11-13-6-8-16(24-2)9-7-13)12-17(21)18-14-4-3-5-15(10-14)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide?
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 8761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).