2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide

C20H25N3O5 — CID 26429979

IUPAC2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25N3O5/c1-14-9-15(2)11-17(10-14)28-8-7-22(3)13-20(24)21-18-6-5-16(23(25)26)12-19(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,24)
InChIKeySHHGSOVKEIIRSW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.17
Rot. Bonds9

About 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 26429979) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID26429979
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25N3O5/c1-14-9-15(2)11-17(10-14)28-8-7-22(3)13-20(24)21-18-6-5-16(23(25)26)12-19(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,24)
InChIKeySHHGSOVKEIIRSW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-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

Related Compounds

N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19276183
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147870
N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711481
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 26429979) is 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is SHHGSOVKEIIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-14-9-15(2)11-17(10-14)28-8-7-22(3)13-20(24)21-18-6-5-16(23(25)26)12-19(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,24).
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 26429979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).