N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide

C14H16N2O3 — CID 142802537

IUPACN-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
SMILESCCN(CCCOc1ccc(C#N)cc1)C(=O)C=O
InChIInChI=1S/C14H16N2O3/c1-2-16(14(18)11-17)8-3-9-19-13-6-4-12(10-15)5-7-13/h4-7,11H,2-3,8-9H2,1H3
InChIKeyQEHKXNVDGTZKLH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.37
Rot. Bonds7

About N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide

N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide (PubChem CID 142802537) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
PubChem CID142802537
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
SMILESCCN(CCCOc1ccc(C#N)cc1)C(=O)C=O
InChIInChI=1S/C14H16N2O3/c1-2-16(14(18)11-17)8-3-9-19-13-6-4-12(10-15)5-7-13/h4-7,11H,2-3,8-9H2,1H3
InChIKeyQEHKXNVDGTZKLH-UHFFFAOYSA-N
XLogP1.37
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide (CID 142802537) is N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide is CCN(CCCOc1ccc(C#N)cc1)C(=O)C=O.
What is the InChIKey of N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide?
The InChIKey is QEHKXNVDGTZKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-16(14(18)11-17)8-3-9-19-13-6-4-12(10-15)5-7-13/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide?
N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide has a molecular weight of 260.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 142802537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).