N-(but-2-enylideneamino)-2-phenoxyacetamide

C12H14N2O2 — CID 4285683

IUPACN-(but-2-enylideneamino)-2-phenoxyacetamide
SMILESCC=CC=NNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-3-9-13-14-12(15)10-16-11-7-5-4-6-8-11/h2-9H,10H2,1H3,(H,14,15)
InChIKeyPNSYYGKWYQNZAT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.74
Rot. Bonds5

About N-(but-2-enylideneamino)-2-phenoxyacetamide

N-(but-2-enylideneamino)-2-phenoxyacetamide (PubChem CID 4285683) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(but-2-enylideneamino)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(but-2-enylideneamino)-2-phenoxyacetamide
PubChem CID4285683
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(but-2-enylideneamino)-2-phenoxyacetamide
SMILESCC=CC=NNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-3-9-13-14-12(15)10-16-11-7-5-4-6-8-11/h2-9H,10H2,1H3,(H,14,15)
InChIKeyPNSYYGKWYQNZAT-UHFFFAOYSA-N
XLogP1.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599

Frequently Asked Questions

What is the IUPAC name of N-(but-2-enylideneamino)-2-phenoxyacetamide?
The IUPAC name of N-(but-2-enylideneamino)-2-phenoxyacetamide (CID 4285683) is N-(but-2-enylideneamino)-2-phenoxyacetamide.
What is the SMILES notation for N-(but-2-enylideneamino)-2-phenoxyacetamide?
The canonical SMILES for N-(but-2-enylideneamino)-2-phenoxyacetamide is CC=CC=NNC(=O)COc1ccccc1.
What is the InChIKey of N-(but-2-enylideneamino)-2-phenoxyacetamide?
The InChIKey is PNSYYGKWYQNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-9-13-14-12(15)10-16-11-7-5-4-6-8-11/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-(but-2-enylideneamino)-2-phenoxyacetamide?
N-(but-2-enylideneamino)-2-phenoxyacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-2-enylideneamino)-2-phenoxyacetamide is sourced from PubChem (CID 4285683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).