2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide

C15H15N3O6 — CID 70921732

IUPAC2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2OC)ccn1
InChIInChI=1S/C15H15N3O6/c1-22-9-15(19)17-14-8-11(5-6-16-14)24-12-4-3-10(18(20)21)7-13(12)23-2/h3-8H,9H2,1-2H3,(H,16,17,19)
InChIKeyGYZKNJSBRQUSHD-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.38
Rot. Bonds7

About 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide

2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide (PubChem CID 70921732) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide
PubChem CID70921732
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2OC)ccn1
InChIInChI=1S/C15H15N3O6/c1-22-9-15(19)17-14-8-11(5-6-16-14)24-12-4-3-10(18(20)21)7-13(12)23-2/h3-8H,9H2,1-2H3,(H,16,17,19)
InChIKeyGYZKNJSBRQUSHD-UHFFFAOYSA-N
XLogP2.38
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

tert-butyl N-[4-(2-chloro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 175583227
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
CID 67451741
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
tert-butyl N-[4-(4-nitrophenoxy)-2-pyridinyl]carbamate;ethane
CID 123844996
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587008
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methylurea
CID 23153320

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide (CID 70921732) is 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide is COCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2OC)ccn1.
What is the InChIKey of 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide?
The InChIKey is GYZKNJSBRQUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-22-9-15(19)17-14-8-11(5-6-16-14)24-12-4-3-10(18(20)21)7-13(12)23-2/h3-8H,9H2,1-2H3,(H,16,17,19).
What are the key properties of 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide?
2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide has a molecular weight of 333.30 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 70921732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).