N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide

C13H15N3O2 — CID 79285957

IUPACN-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H15N3O2/c1-2-7-15-10-13(17)16-11-4-3-5-12(9-11)18-8-6-14/h2-5,9,15H,1,7-8,10H2,(H,16,17)
InChIKeyNZAPGVSPCGLPKS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.30
Rot. Bonds7

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

N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285957) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285957
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H15N3O2/c1-2-7-15-10-13(17)16-11-4-3-5-12(9-11)18-8-6-14/h2-5,9,15H,1,7-8,10H2,(H,16,17)
InChIKeyNZAPGVSPCGLPKS-UHFFFAOYSA-N
XLogP1.30
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818464
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
CID 47228165
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285957) is N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is NZAPGVSPCGLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-7-15-10-13(17)16-11-4-3-5-12(9-11)18-8-6-14/h2-5,9,15H,1,7-8,10H2,(H,16,17).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).