2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide

C14H17N3O3 — CID 43384578

IUPAC2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)CCC#N
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-6-3-4-7-13(12)20-10-14(19)17(2)9-5-8-15/h3-4,6-7H,5,9-10H2,1-2H3,(H,16,18)
InChIKeyULYJLMGAFMQGRJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide

2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 43384578) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID43384578
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)CCC#N
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-6-3-4-7-13(12)20-10-14(19)17(2)9-5-8-15/h3-4,6-7H,5,9-10H2,1-2H3,(H,16,18)
InChIKeyULYJLMGAFMQGRJ-UHFFFAOYSA-N
XLogP1.40
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7867334
3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 60645400
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654148
N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61027699
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide (CID 43384578) is 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide is CC(=O)Nc1ccccc1OCC(=O)N(C)CCC#N.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is ULYJLMGAFMQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11(18)16-12-6-3-4-7-13(12)20-10-14(19)17(2)9-5-8-15/h3-4,6-7H,5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 43384578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).