3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide

C20H25N3O4 — CID 33477902

IUPAC3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCOc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C20H25N3O4/c1-4-27-17-10-8-16(9-11-17)14-22(3)13-12-20(24)21-18-6-5-7-19(15(18)2)23(25)26/h5-11H,4,12-14H2,1-3H3,(H,21,24)
InChIKeyRAQRJYRDGZGMEK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.76
Rot. Bonds9

About 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide

3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 33477902) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID33477902
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCOc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C20H25N3O4/c1-4-27-17-10-8-16(9-11-17)14-22(3)13-12-20(24)21-18-6-5-7-19(15(18)2)23(25)26/h5-11H,4,12-14H2,1-3H3,(H,21,24)
InChIKeyRAQRJYRDGZGMEK-UHFFFAOYSA-N
XLogP3.76
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.76
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

N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203177
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 27822984
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 110906774
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
4-ethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4948861
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9287622
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 7330182
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide (CID 33477902) is 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide is CCOc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is RAQRJYRDGZGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-27-17-10-8-16(9-11-17)14-22(3)13-12-20(24)21-18-6-5-7-19(15(18)2)23(25)26/h5-11H,4,12-14H2,1-3H3,(H,21,24).
What are the key properties of 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 33477902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).