2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide

C21H20N4O4 — CID 10408190

IUPAC2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(N=O)c2ccc(OCC(=O)N(C)c3cccnc3)cc2)cc1
InChIInChI=1S/C21H20N4O4/c1-24(18-4-3-13-22-14-18)21(26)15-29-20-11-7-17(8-12-20)25(23-27)16-5-9-19(28-2)10-6-16/h3-14H,15H2,1-2H3
InChIKeyCCICPDIPCXIYFQ-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.95
Rot. Bonds8

About 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide

2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide (PubChem CID 10408190) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide
PubChem CID10408190
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(N=O)c2ccc(OCC(=O)N(C)c3cccnc3)cc2)cc1
InChIInChI=1S/C21H20N4O4/c1-24(18-4-3-13-22-14-18)21(26)15-29-20-11-7-17(8-12-20)25(23-27)16-5-9-19(28-2)10-6-16/h3-14H,15H2,1-2H3
InChIKeyCCICPDIPCXIYFQ-UHFFFAOYSA-N
XLogP3.95
TPSA84.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
N-(4-methoxyphenyl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 72705757
4-(4-methoxy-N-nitrosoanilino)-2-methyl-N-pyridin-3-ylbenzamide
CID 141075471
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
CID 90125308
N-(4-acetylphenyl)-N-(4-methoxyphenyl)nitrous amide
CID 11288691
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide (CID 10408190) is 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide is COc1ccc(N(N=O)c2ccc(OCC(=O)N(C)c3cccnc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide?
The InChIKey is CCICPDIPCXIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-24(18-4-3-13-22-14-18)21(26)15-29-20-11-7-17(8-12-20)25(23-27)16-5-9-19(28-2)10-6-16/h3-14H,15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide?
2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide has a molecular weight of 392.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 10408190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).