N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide

C16H19N3O3 — CID 51095519

IUPACN,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
SMILESN#CCCN(CCC#N)C(=O)COCCOc1ccccc1
InChIInChI=1S/C16H19N3O3/c17-8-4-10-19(11-5-9-18)16(20)14-21-12-13-22-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2
InChIKeyVMTMCYFNHJBJDC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds10

About N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide

N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide (PubChem CID 51095519) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
PubChem CID51095519
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
SMILESN#CCCN(CCC#N)C(=O)COCCOc1ccccc1
InChIInChI=1S/C16H19N3O3/c17-8-4-10-19(11-5-9-18)16(20)14-21-12-13-22-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2
InChIKeyVMTMCYFNHJBJDC-UHFFFAOYSA-N
XLogP1.74
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 16533251
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316955
N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
CID 60977397
N,N-bis(cyanomethyl)-3-phenoxypropanamide
CID 60592055
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 30423465
N,N-bis(2-cyanoethyl)-2-(3-nitrophenoxy)acetamide
CID 32698814
N,N-bis(2-cyanoethyl)-2-(2-phenoxyanilino)acetamide
CID 78822833

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide (CID 51095519) is N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide is N#CCCN(CCC#N)C(=O)COCCOc1ccccc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide?
The InChIKey is VMTMCYFNHJBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-8-4-10-19(11-5-9-18)16(20)14-21-12-13-22-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide?
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 51095519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).