N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide

C18H19N3O6 — CID 11111531

IUPACN-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6/c1-14(22)19(11-10-15-2-4-16(5-3-15)20(23)24)12-13-27-18-8-6-17(7-9-18)21(25)26/h2-9H,10-13H2,1H3
InChIKeyURPHAAMZWOJBJQ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide

N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 11111531) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID11111531
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6/c1-14(22)19(11-10-15-2-4-16(5-3-15)20(23)24)12-13-27-18-8-6-17(7-9-18)21(25)26/h2-9H,10-13H2,1H3
InChIKeyURPHAAMZWOJBJQ-UHFFFAOYSA-N
XLogP2.97
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Etofamide
CID 65718
Clefamide
CID 71819
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
N-((Phenylmethoxy)carbonyl)glycine 4-nitrophenyl ester
CID 15616
Mls002706796
CID 273306
N,N-dimethyl-3-(4-nitrophenoxy)-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947572
1-Benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate
CID 102970
N-methyl-4-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 14645095
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
2-(2-Ethoxy-phenoxymethyl)-4-(4-nitro-benzyl)-morpholine
CID 11176211
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 11111531) is N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide is CC(=O)N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is URPHAAMZWOJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-14(22)19(11-10-15-2-4-16(5-3-15)20(23)24)12-13-27-18-8-6-17(7-9-18)21(25)26/h2-9H,10-13H2,1H3.
What are the key properties of N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide?
N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 11111531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).