N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide

C16H19N3O2 — CID 51142804

IUPACN,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H19N3O2/c1-13-6-3-7-14(2)16(13)21-12-15(20)19(10-4-8-17)11-5-9-18/h3,6-7H,4-5,10-12H2,1-2H3
InChIKeyLWFXQKPFBPHWQH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide

N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 51142804) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID51142804
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H19N3O2/c1-13-6-3-7-14(2)16(13)21-12-15(20)19(10-4-8-17)11-5-9-18/h3,6-7H,4-5,10-12H2,1-2H3
InChIKeyLWFXQKPFBPHWQH-UHFFFAOYSA-N
XLogP2.34
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide 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

[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 30395339
4-(2,6-dimethylphenoxy)-3-oxobutanenitrile
CID 82076706
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
N,N-bis(2-cyanoethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880497
N,N-bis(2-cyanoethyl)-2-(3-nitrophenoxy)acetamide
CID 32698814
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
CID 51095519
2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
CID 43655320
N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78767174
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316955
methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate
CID 61031441
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54790525

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide (CID 51142804) is N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is LWFXQKPFBPHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-6-3-7-14(2)16(13)21-12-15(20)19(10-4-8-17)11-5-9-18/h3,6-7H,4-5,10-12H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide?
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 51142804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).