N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide

C22H26N2O2 — CID 54790525

IUPACN-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-18(2)20-11-6-7-12-21(20)26-17-22(25)24(15-8-14-23)16-13-19-9-4-3-5-10-19/h3-7,9-12,18H,8,13,15-17H2,1-2H3
InChIKeyPNHUSKPNKWUNAO-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.17
Rot. Bonds9

About N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 54790525) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID54790525
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-18(2)20-11-6-7-12-21(20)26-17-22(25)24(15-8-14-23)16-13-19-9-4-3-5-10-19/h3-7,9-12,18H,8,13,15-17H2,1-2H3
InChIKeyPNHUSKPNKWUNAO-UHFFFAOYSA-N
XLogP4.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
N,N-bis(2-hydroxyethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 60653391
2-(2-bromo-4-ethylphenoxy)-N-(2-cyanoethyl)-N-(2-phenylethyl)acetamide
CID 54790502
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100515257
2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132667474
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132713657
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
2-methoxyethyl 4-[2-cyanoethyl(2-phenylethyl)amino]-4-oxobutanoate
CID 54790631

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 54790525) is N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is PNHUSKPNKWUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-18(2)20-11-6-7-12-21(20)26-17-22(25)24(15-8-14-23)16-13-19-9-4-3-5-10-19/h3-7,9-12,18H,8,13,15-17H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 350.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54790525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).