N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide

C14H18N2O2 — CID 60977397

IUPACN-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-12(2)16(10-6-9-15)14(17)11-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyDJZFSQZFTRCATF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.22
Rot. Bonds6

About N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide

N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide (PubChem CID 60977397) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
PubChem CID60977397
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-12(2)16(10-6-9-15)14(17)11-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyDJZFSQZFTRCATF-UHFFFAOYSA-N
XLogP2.22
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
CID 51095519
methyl 4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate
CID 51172550
1-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325122
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
CID 81071767
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
CID 60827253
N-(2-cyanoethyl)-N-methyl-2-(3-methylsulfonylphenoxy)acetamide
CID 43803923
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide (CID 60977397) is N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide is CC(C)N(CCC#N)C(=O)COc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide?
The InChIKey is DJZFSQZFTRCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12(2)16(10-6-9-15)14(17)11-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide?
N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 60977397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).