2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide

C16H23N3O2 — CID 60696515

IUPAC2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O2/c1-4-19(5-2)16(20)13-18(3)10-11-21-15-8-6-14(12-17)7-9-15/h6-9H,4-5,10-11,13H2,1-3H3
InChIKeyAENCQACASFPYKL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds8

About 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide

2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide (PubChem CID 60696515) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
PubChem CID60696515
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O2/c1-4-19(5-2)16(20)13-18(3)10-11-21-15-8-6-14(12-17)7-9-15/h6-9H,4-5,10-11,13H2,1-3H3
InChIKeyAENCQACASFPYKL-UHFFFAOYSA-N
XLogP1.74
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
CID 142802537
4-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzonitrile
CID 113339720
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594335
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide (CID 60696515) is 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CCOc1ccc(C#N)cc1.
What is the InChIKey of 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The InChIKey is AENCQACASFPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19(5-2)16(20)13-18(3)10-11-21-15-8-6-14(12-17)7-9-15/h6-9H,4-5,10-11,13H2,1-3H3.
What are the key properties of 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 60696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).