N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C19H17N3O4 — CID 29312739

IUPACN-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCN(C(=O)COc1cccnc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C19H17N3O4/c1-2-21(16-10-5-8-14-7-3-4-9-15(14)16)18(23)13-26-17-11-6-12-20-19(17)22(24)25/h3-12H,2,13H2,1H3
InChIKeyIADMEFWXEKAZNF-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 29312739) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID29312739
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCN(C(=O)COc1cccnc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C19H17N3O4/c1-2-21(16-10-5-8-14-7-3-4-9-15(14)16)18(23)13-26-17-11-6-12-20-19(17)22(24)25/h3-12H,2,13H2,1H3
InChIKeyIADMEFWXEKAZNF-UHFFFAOYSA-N
XLogP3.57
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 29312739) is N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CCN(C(=O)COc1cccnc1[N+](=O)[O-])c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is IADMEFWXEKAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-21(16-10-5-8-14-7-3-4-9-15(14)16)18(23)13-26-17-11-6-12-20-19(17)22(24)25/h3-12H,2,13H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 351.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 29312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).