2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide

C13H16N2O2 — CID 62404738

IUPAC2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-17-8-2-7-15-13(16)9-11-3-5-12(10-14)6-4-11/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeyWBGCINKPBAFZNN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.25
Rot. Bonds6

About 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide

2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide (PubChem CID 62404738) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
PubChem CID62404738
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-17-8-2-7-15-13(16)9-11-3-5-12(10-14)6-4-11/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeyWBGCINKPBAFZNN-UHFFFAOYSA-N
XLogP1.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725457
2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 171473702
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
1-[[2-(4-cyanophenoxy)acetyl]amino]-3-(3-methoxypropyl)-1-methylthiourea
CID 9329125
4-[[hydroxy-(3-methoxypropylamino)methoxy]methyl]benzonitrile
CID 174196593
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide (CID 62404738) is 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is WBGCINKPBAFZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-8-2-7-15-13(16)9-11-3-5-12(10-14)6-4-11/h3-6H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide?
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).