2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide

C19H17N3O3 — CID 6823301

IUPAC2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
SMILESCOc1ccccc1C=CC=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O3/c1-24-18-7-3-2-5-16(18)6-4-12-21-22-19(23)14-25-17-10-8-15(13-20)9-11-17/h2-12H,14H2,1H3,(H,22,23)
InChIKeyLRIOYNAYQSOZPL-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide

2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide (PubChem CID 6823301) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
PubChem CID6823301
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
SMILESCOc1ccccc1C=CC=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O3/c1-24-18-7-3-2-5-16(18)6-4-12-21-22-19(23)14-25-17-10-8-15(13-20)9-11-17/h2-12H,14H2,1H3,(H,22,23)
InChIKeyLRIOYNAYQSOZPL-UHFFFAOYSA-N
XLogP2.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
[4-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 9316660
N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126024433
2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 42995448

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide (CID 6823301) is 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide is COc1ccccc1C=CC=NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide?
The InChIKey is LRIOYNAYQSOZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-18-7-3-2-5-16(18)6-4-12-21-22-19(23)14-25-17-10-8-15(13-20)9-11-17/h2-12H,14H2,1H3,(H,22,23).
What are the key properties of 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide is sourced from PubChem (CID 6823301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).