2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide

C19H21N3O2 — CID 71997885

IUPAC2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCCOc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-22(2)19(23)13-15-6-8-17(9-7-15)21-10-11-24-18-5-3-4-16(12-18)14-20/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeySADQPHDOEJNBST-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide

2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 71997885) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide
PubChem CID71997885
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCCOc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-22(2)19(23)13-15-6-8-17(9-7-15)21-10-11-24-18-5-3-4-16(12-18)14-20/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeySADQPHDOEJNBST-UHFFFAOYSA-N
XLogP2.68
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
2-chloro-4-[2-(3-cyanophenoxy)ethylamino]benzamide
CID 71998009
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
3-(5-oxohexoxy)benzonitrile
CID 62030651
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide (CID 71997885) is 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NCCOc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is SADQPHDOEJNBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)19(23)13-15-6-8-17(9-7-15)21-10-11-24-18-5-3-4-16(12-18)14-20/h3-9,12,21H,10-11,13H2,1-2H3.
What are the key properties of 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-cyanophenoxy)ethylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 71997885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).