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

C18H21N3O4 — CID 8778343

IUPAC2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H21N3O4/c1-13-10-15(21(23)24)6-9-17(13)19-18(22)12-20(2)11-14-4-7-16(25-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,19,22)
InChIKeyZLVAQGAQTDWBPZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.98
Rot. Bonds7

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

2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 8778343) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID8778343
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H21N3O4/c1-13-10-15(21(23)24)6-9-17(13)19-18(22)12-20(2)11-14-4-7-16(25-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,19,22)
InChIKeyZLVAQGAQTDWBPZ-UHFFFAOYSA-N
XLogP2.98
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.98
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

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 78825993
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-methoxybenzoate
CID 7861709
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9288076
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide (CID 8778343) is 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is ZLVAQGAQTDWBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-10-15(21(23)24)6-9-17(13)19-18(22)12-20(2)11-14-4-7-16(25-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide?
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 8778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).