2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide

C19H21N3O5 — CID 55783641

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C19H21N3O5/c1-24-7-8-26-19-6-4-15(12-22-19)11-21-18(23)13-27-16-5-3-14(10-20)9-17(16)25-2/h3-6,9,12H,7-8,11,13H2,1-2H3,(H,21,23)
InChIKeyQJRIXBRBBNULEA-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.68
Rot. Bonds10

About 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 55783641) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
PubChem CID55783641
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
SMILESCOCCOc1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C19H21N3O5/c1-24-7-8-26-19-6-4-15(12-22-19)11-21-18(23)13-27-16-5-3-14(10-20)9-17(16)25-2/h3-6,9,12H,7-8,11,13H2,1-2H3,(H,21,23)
InChIKeyQJRIXBRBBNULEA-UHFFFAOYSA-N
XLogP1.68
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide
CID 52777591
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744249
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698776

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide (CID 55783641) is 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide is COCCOc1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cn1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is QJRIXBRBBNULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-7-8-26-19-6-4-15(12-22-19)11-21-18(23)13-27-16-5-3-14(10-20)9-17(16)25-2/h3-6,9,12H,7-8,11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55783641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).