2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide

C19H21N3O4 — CID 55783770

IUPAC2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
SMILESCOCCOc1ccc(CNC(=O)C(C)Oc2ccccc2C#N)cn1
InChIInChI=1S/C19H21N3O4/c1-14(26-17-6-4-3-5-16(17)11-20)19(23)22-13-15-7-8-18(21-12-15)25-10-9-24-2/h3-8,12,14H,9-10,13H2,1-2H3,(H,22,23)
InChIKeyLIXHOQMBENOBJR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.06
Rot. Bonds9

About 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide

2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55783770) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55783770
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
SMILESCOCCOc1ccc(CNC(=O)C(C)Oc2ccccc2C#N)cn1
InChIInChI=1S/C19H21N3O4/c1-14(26-17-6-4-3-5-16(17)11-20)19(23)22-13-15-7-8-18(21-12-15)25-10-9-24-2/h3-8,12,14H,9-10,13H2,1-2H3,(H,22,23)
InChIKeyLIXHOQMBENOBJR-UHFFFAOYSA-N
XLogP2.06
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46597383
2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
CID 120701997
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55783917
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 55783641
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275366
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide (CID 55783770) is 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide is COCCOc1ccc(CNC(=O)C(C)Oc2ccccc2C#N)cn1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is LIXHOQMBENOBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-14(26-17-6-4-3-5-16(17)11-20)19(23)22-13-15-7-8-18(21-12-15)25-10-9-24-2/h3-8,12,14H,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide?
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55783770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).