N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide

C18H21N3O3 — CID 4879431

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(15-6-4-3-5-7-15)13-19-18(22)12-14-8-10-16(11-9-14)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)
InChIKeyUZYWUDBJEZPKHL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide

N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 4879431) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide
PubChem CID4879431
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(15-6-4-3-5-7-15)13-19-18(22)12-14-8-10-16(11-9-14)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)
InChIKeyUZYWUDBJEZPKHL-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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 N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide (CID 4879431) is N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide is CN(C)C(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is UZYWUDBJEZPKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(2)17(15-6-4-3-5-7-15)13-19-18(22)12-14-8-10-16(11-9-14)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4879431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).