2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

C16H23N3O2 — CID 103188840

IUPAC2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(C#N)cc1)C(C)CN(C)C
InChIInChI=1S/C16H23N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-8-6-14(10-17)7-9-15/h6-9,13H,5,11-12H2,1-4H3
InChIKeyYXTUMESSHJQSNN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (PubChem CID 103188840) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
PubChem CID103188840
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(C#N)cc1)C(C)CN(C)C
InChIInChI=1S/C16H23N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-8-6-14(10-17)7-9-15/h6-9,13H,5,11-12H2,1-4H3
InChIKeyYXTUMESSHJQSNN-UHFFFAOYSA-N
XLogP1.74
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
CID 78867603
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2442737
4-[3-[1-(dimethylamino)propan-2-yl-ethylamino]propoxy]benzonitrile
CID 103188933
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (CID 103188840) is 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is CCN(C(=O)COc1ccc(C#N)cc1)C(C)CN(C)C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The InChIKey is YXTUMESSHJQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-8-6-14(10-17)7-9-15/h6-9,13H,5,11-12H2,1-4H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 103188840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).