N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide

C13H16N2O3 — CID 55091253

IUPACN-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H16N2O3/c1-2-17-8-6-13(16)15-11-4-3-5-12(10-11)18-9-7-14/h3-5,10H,2,6,8-9H2,1H3,(H,15,16)
InChIKeyOMLUTOJAZXNLPU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.95
Rot. Bonds7

About N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide

N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide (PubChem CID 55091253) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
PubChem CID55091253
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H16N2O3/c1-2-17-8-6-13(16)15-11-4-3-5-12(10-11)18-9-7-14/h3-5,10H,2,6,8-9H2,1H3,(H,15,16)
InChIKeyOMLUTOJAZXNLPU-UHFFFAOYSA-N
XLogP1.95
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.95
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]-4-ethoxybutanamide
CID 47228165
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
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
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
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide (CID 55091253) is N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide is CCOCCC(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide?
The InChIKey is OMLUTOJAZXNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-17-8-6-13(16)15-11-4-3-5-12(10-11)18-9-7-14/h3-5,10H,2,6,8-9H2,1H3,(H,15,16).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide?
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide is sourced from PubChem (CID 55091253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).