N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide

C14H18N2O3 — CID 47228165

IUPACN-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H18N2O3/c1-2-18-9-4-7-14(17)16-12-5-3-6-13(11-12)19-10-8-15/h3,5-6,11H,2,4,7,9-10H2,1H3,(H,16,17)
InChIKeyJQTNLLVTFBXRGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.34
Rot. Bonds8

About N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide

N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide (PubChem CID 47228165) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
PubChem CID47228165
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H18N2O3/c1-2-18-9-4-7-14(17)16-12-5-3-6-13(11-12)19-10-8-15/h3,5-6,11H,2,4,7,9-10H2,1H3,(H,16,17)
InChIKeyJQTNLLVTFBXRGH-UHFFFAOYSA-N
XLogP2.34
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
4-ethoxy-N-phenylbutanamide
CID 112728021
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
[3-(cyanomethoxy)phenyl]urea
CID 43369607
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide (CID 47228165) is N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide is CCOCCCC(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide?
The InChIKey is JQTNLLVTFBXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-18-9-4-7-14(17)16-12-5-3-6-13(11-12)19-10-8-15/h3,5-6,11H,2,4,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide?
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide has a molecular weight of 262.31 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide is sourced from PubChem (CID 47228165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).