N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide

C13H17N3O3 — CID 79281343

IUPACN-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H17N3O3/c1-18-8-6-15-10-13(17)16-11-3-2-4-12(9-11)19-7-5-14/h2-4,9,15H,6-8,10H2,1H3,(H,16,17)
InChIKeyGWBQMCWSEDHELD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.76
Rot. Bonds8

About N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide

N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79281343) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID79281343
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H17N3O3/c1-18-8-6-15-10-13(17)16-11-3-2-4-12(9-11)19-7-5-14/h2-4,9,15H,6-8,10H2,1H3,(H,16,17)
InChIKeyGWBQMCWSEDHELD-UHFFFAOYSA-N
XLogP0.76
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (CID 79281343) is N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is GWBQMCWSEDHELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-8-6-15-10-13(17)16-11-3-2-4-12(9-11)19-7-5-14/h2-4,9,15H,6-8,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79281343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).