N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide

C13H16N2O2 — CID 96660405

IUPACN-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CCCC#N)cc1NC(C)=O
InChIInChI=1S/C13H16N2O2/c1-10(16)15-12-9-11(5-3-4-8-14)6-7-13(12)17-2/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyCNYDCPLOZRPWDR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.50
Rot. Bonds5

About N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide

N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide (PubChem CID 96660405) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
PubChem CID96660405
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CCCC#N)cc1NC(C)=O
InChIInChI=1S/C13H16N2O2/c1-10(16)15-12-9-11(5-3-4-8-14)6-7-13(12)17-2/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyCNYDCPLOZRPWDR-UHFFFAOYSA-N
XLogP2.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide 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

N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
CID 98015653
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
ethyl 5-(4-cyanobutyl)-2-methoxybenzoate
CID 10967274
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 37263710
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide (CID 96660405) is N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide is COc1ccc(CCCC#N)cc1NC(C)=O.
What is the InChIKey of N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide?
The InChIKey is CNYDCPLOZRPWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)15-12-9-11(5-3-4-8-14)6-7-13(12)17-2/h6-7,9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide?
N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 96660405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).