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

C18H21N3O3 — CID 4883949

IUPAC2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O3/c1-3-14-8-10-15(11-9-14)12-20(2)13-18(22)19-16-6-4-5-7-17(16)21(23)24/h4-11H,3,12-13H2,1-2H3,(H,19,22)
InChIKeyINOZAVGVRJZAJQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.23
Rot. Bonds7

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

2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 4883949) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
PubChem CID4883949
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O3/c1-3-14-8-10-15(11-9-14)12-20(2)13-18(22)19-16-6-4-5-7-17(16)21(23)24/h4-11H,3,12-13H2,1-2H3,(H,19,22)
InChIKeyINOZAVGVRJZAJQ-UHFFFAOYSA-N
XLogP3.23
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (CID 4883949) is 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is CCc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is INOZAVGVRJZAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-14-8-10-15(11-9-14)12-20(2)13-18(22)19-16-6-4-5-7-17(16)21(23)24/h4-11H,3,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4883949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).