N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide

C20H19N3O2 — CID 3131849

IUPACN-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide
SMILESO=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c24-22-23(15-12-17-10-13-21-14-11-17)19-6-8-20(9-7-19)25-16-18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2
InChIKeyZFPGGPXGWDOUOI-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.39
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide

N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide (PubChem CID 3131849) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide
PubChem CID3131849
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide
SMILESO=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c24-22-23(15-12-17-10-13-21-14-11-17)19-6-8-20(9-7-19)25-16-18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2
InChIKeyZFPGGPXGWDOUOI-UHFFFAOYSA-N
XLogP4.39
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide (CID 3131849) is N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide is O=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide?
The InChIKey is ZFPGGPXGWDOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-22-23(15-12-17-10-13-21-14-11-17)19-6-8-20(9-7-19)25-16-18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2.
What are the key properties of N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide?
N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide has a molecular weight of 333.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)nitrous amide is sourced from PubChem (CID 3131849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).