N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide

C20H18N2O5 — CID 19174635

IUPACN-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12
InChIInChI=1S/C20H18N2O5/c23-20(14-27-17-10-8-16(9-11-17)22(24)25)21-12-13-26-19-7-3-5-15-4-1-2-6-18(15)19/h1-11H,12-14H2,(H,21,23)
InChIKeyRIYCXKFHHRAFPD-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.32
Rot. Bonds8

About N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide

N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 19174635) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
PubChem CID19174635
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12
InChIInChI=1S/C20H18N2O5/c23-20(14-27-17-10-8-16(9-11-17)22(24)25)21-12-13-26-19-7-3-5-15-4-1-2-6-18(15)19/h1-11H,12-14H2,(H,21,23)
InChIKeyRIYCXKFHHRAFPD-UHFFFAOYSA-N
XLogP3.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94848384
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide (CID 19174635) is N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is RIYCXKFHHRAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-20(14-27-17-10-8-16(9-11-17)22(24)25)21-12-13-26-19-7-3-5-15-4-1-2-6-18(15)19/h1-11H,12-14H2,(H,21,23).
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide?
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 19174635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).