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

C19H23N3O5 — CID 27204439

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C19H23N3O5/c1-4-27-16-8-5-14(6-9-16)12-21(2)13-19(23)20-17-10-7-15(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23)
InChIKeyUPLOEDSJPXEQNT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.07
Rot. Bonds9

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

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 27204439) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID27204439
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C19H23N3O5/c1-4-27-16-8-5-14(6-9-16)12-21(2)13-19(23)20-17-10-7-15(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23)
InChIKeyUPLOEDSJPXEQNT-UHFFFAOYSA-N
XLogP3.07
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.07
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

N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8778343
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979
N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4880360

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 27204439) is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide is CCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is UPLOEDSJPXEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-27-16-8-5-14(6-9-16)12-21(2)13-19(23)20-17-10-7-15(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.07, 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-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 27204439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).