2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C20H22N2O3 — CID 134055001

IUPAC2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)24-18-10-6-17(7-11-18)13-22-20(23)15(3)25-19-8-4-16(12-21)5-9-19/h4-11,14-15H,13H2,1-3H3,(H,22,23)
InChIKeyHCBWEPZSWKUALF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 134055001) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID134055001
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)24-18-10-6-17(7-11-18)13-22-20(23)15(3)25-19-8-4-16(12-21)5-9-19/h4-11,14-15H,13H2,1-3H3,(H,22,23)
InChIKeyHCBWEPZSWKUALF-UHFFFAOYSA-N
XLogP3.43
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide 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-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46464883
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 134055001) is 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is HCBWEPZSWKUALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)24-18-10-6-17(7-11-18)13-22-20(23)15(3)25-19-8-4-16(12-21)5-9-19/h4-11,14-15H,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 134055001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).