2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide

C18H19N3O2 — CID 171473702

IUPAC2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(-c2cc(N)cc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-7-6-21-18(22)10-13-2-4-15(5-3-13)16-8-14(12-19)9-17(20)11-16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyUKHQHBNKMUNVPZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide

2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 171473702) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
PubChem CID171473702
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(-c2cc(N)cc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-7-6-21-18(22)10-13-2-4-15(5-3-13)16-8-14(12-19)9-17(20)11-16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyUKHQHBNKMUNVPZ-UHFFFAOYSA-N
XLogP2.11
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
3-(5-cyano-2-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 104713839
3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54795721

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide (CID 171473702) is 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc(-c2cc(N)cc(C#N)c2)cc1.
What is the InChIKey of 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is UKHQHBNKMUNVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-7-6-21-18(22)10-13-2-4-15(5-3-13)16-8-14(12-19)9-17(20)11-16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22).
What are the key properties of 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide?
2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 171473702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).