N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide

C20H19N3O3 — CID 166420847

IUPACN-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCOc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O3/c1-2-19(24)23-18-9-4-3-7-16(18)13-20(25)22-10-11-26-17-8-5-6-15(12-17)14-21/h2-9,12H,1,10-11,13H2,(H,22,25)(H,23,24)
InChIKeyCJWXGSRANXEYDX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.42
Rot. Bonds8

About N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420847) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420847
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCOc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O3/c1-2-19(24)23-18-9-4-3-7-16(18)13-20(25)22-10-11-26-17-8-5-6-15(12-17)14-21/h2-9,12H,1,10-11,13H2,(H,22,25)(H,23,24)
InChIKeyCJWXGSRANXEYDX-UHFFFAOYSA-N
XLogP2.42
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
1-[2-(3-chlorophenoxy)ethyl]-3-(2-cyanophenyl)urea
CID 112970884
3-(2-ethenoxyethoxy)benzonitrile
CID 66734813
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420847) is N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)NCCOc1cccc(C#N)c1.
What is the InChIKey of N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is CJWXGSRANXEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-19(24)23-18-9-4-3-7-16(18)13-20(25)22-10-11-26-17-8-5-6-15(12-17)14-21/h2-9,12H,1,10-11,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).