2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

C20H25N3O5 — CID 4029048

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C20H25N3O5/c1-5-28-16-8-6-15(7-9-16)12-22(3)13-20(24)21-17-11-19(27-4)18(23(25)26)10-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyBQDARVMMLHFSHL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds9

About 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (PubChem CID 4029048) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
PubChem CID4029048
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C20H25N3O5/c1-5-28-16-8-6-15(7-9-16)12-22(3)13-20(24)21-17-11-19(27-4)18(23(25)26)10-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyBQDARVMMLHFSHL-UHFFFAOYSA-N
XLogP3.38
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
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'}

Analyze 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (CID 4029048) is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is CCOc1ccc(CN(C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is BQDARVMMLHFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-5-28-16-8-6-15(7-9-16)12-22(3)13-20(24)21-17-11-19(27-4)18(23(25)26)10-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,24).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 4029048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).