2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide

C22H24N2O4 — CID 55593558

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-4-11-24(14-18-7-5-17(13-23)6-8-18)22(26)15-28-20-10-9-19(16(2)25)12-21(20)27-3/h5-10,12H,4,11,14-15H2,1-3H3
InChIKeyLOOUEMHBLYSRPU-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.59
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide (PubChem CID 55593558) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide
PubChem CID55593558
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-4-11-24(14-18-7-5-17(13-23)6-8-18)22(26)15-28-20-10-9-19(16(2)25)12-21(20)27-3/h5-10,12H,4,11,14-15H2,1-3H3
InChIKeyLOOUEMHBLYSRPU-UHFFFAOYSA-N
XLogP3.59
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
4-[[4-[2-(4-acetyl-2-methoxyphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 55338515
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
(4-acetyl-2-methoxyphenyl) 2-(4-cyanophenoxy)acetate
CID 8868983
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
N-[(4-cyanophenyl)methyl]-4-(difluoromethoxy)-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 55717695
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26730530

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide (CID 55593558) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide is CCCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide?
The InChIKey is LOOUEMHBLYSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-11-24(14-18-7-5-17(13-23)6-8-18)22(26)15-28-20-10-9-19(16(2)25)12-21(20)27-3/h5-10,12H,4,11,14-15H2,1-3H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide has a molecular weight of 380.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 55593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).