N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide

C20H20N2O3 — CID 78867603

IUPACN-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C20H20N2O3/c1-15(2)22(12-17-5-3-16(11-21)4-6-17)20(24)14-25-19-9-7-18(13-23)8-10-19/h3-10,13,15H,12,14H2,1-2H3
InChIKeyHLIMPPVDRAZJQV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.19
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide

N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide (PubChem CID 78867603) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
PubChem CID78867603
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C20H20N2O3/c1-15(2)22(12-17-5-3-16(11-21)4-6-17)20(24)14-25-19-9-7-18(13-23)8-10-19/h3-10,13,15H,12,14H2,1-2H3
InChIKeyHLIMPPVDRAZJQV-UHFFFAOYSA-N
XLogP3.19
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
4-[2-(4-formylphenoxy)ethyl]benzoic acid;4-[2-(4-formylphenoxy)ethyl]benzonitrile
CID 161255200
N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
CID 86931824
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-formylphenoxy)-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 141365248

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide (CID 78867603) is N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide is CC(C)N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C=O)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is HLIMPPVDRAZJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15(2)22(12-17-5-3-16(11-21)4-6-17)20(24)14-25-19-9-7-18(13-23)8-10-19/h3-10,13,15H,12,14H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide?
N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 78867603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).