3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide

C17H18N2O4 — CID 75388561

IUPAC3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O4/c1-18(14-4-3-5-15(12-14)19(21)22)17(20)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyLMUNFXLHLBOASK-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.20
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide

3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide (PubChem CID 75388561) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
PubChem CID75388561
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O4/c1-18(14-4-3-5-15(12-14)19(21)22)17(20)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyLMUNFXLHLBOASK-UHFFFAOYSA-N
XLogP3.20
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide 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-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 107735768
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
CID 140995398
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666655
(2-methoxy-5-nitrophenyl) 3-(4-methoxyphenyl)propanoate
CID 8908166
methyl 3-[2-(4-methoxyphenyl)ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 18678869
N-[(4-methoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1310886
3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide
CID 46906450
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide (CID 75388561) is 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide is COc1ccc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide?
The InChIKey is LMUNFXLHLBOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-18(14-4-3-5-15(12-14)19(21)22)17(20)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide?
3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 75388561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).