N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide

C19H17N3O5 — CID 5202460

IUPACN-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C19H17N3O5/c1-14(16-9-6-12-26-16)21(18-10-4-5-11-20-18)19(23)13-27-17-8-3-2-7-15(17)22(24)25/h2-12,14H,13H2,1H3
InChIKeyHRPDYESAZQHKFY-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.76
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide

N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide (PubChem CID 5202460) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide
PubChem CID5202460
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C19H17N3O5/c1-14(16-9-6-12-26-16)21(18-10-4-5-11-20-18)19(23)13-27-17-8-3-2-7-15(17)22(24)25/h2-12,14H,13H2,1H3
InChIKeyHRPDYESAZQHKFY-UHFFFAOYSA-N
XLogP3.76
TPSA98.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide (CID 5202460) is N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide is CC(c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide?
The InChIKey is HRPDYESAZQHKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-14(16-9-6-12-26-16)21(18-10-4-5-11-20-18)19(23)13-27-17-8-3-2-7-15(17)22(24)25/h2-12,14H,13H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide?
N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide has a molecular weight of 367.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(2-nitrophenoxy)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 5202460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).