2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide

C17H18N2O2 — CID 5152097

IUPAC2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
SMILESCC(Cc1ccccc1)=NNC(=O)COc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(12-15-8-4-2-5-9-15)18-19-17(20)13-21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20)
InChIKeyCUPNOTPFLFKEOG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.80
Rot. Bonds6

About 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide

2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide (PubChem CID 5152097) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
PubChem CID5152097
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
SMILESCC(Cc1ccccc1)=NNC(=O)COc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(12-15-8-4-2-5-9-15)18-19-17(20)13-21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20)
InChIKeyCUPNOTPFLFKEOG-UHFFFAOYSA-N
XLogP2.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.80
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,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685205
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
CID 6381920
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
CID 54784739

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide?
The IUPAC name of 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide (CID 5152097) is 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide?
The canonical SMILES for 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide is CC(Cc1ccccc1)=NNC(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide?
The InChIKey is CUPNOTPFLFKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-14(12-15-8-4-2-5-9-15)18-19-17(20)13-21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20).
What are the key properties of 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide?
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide is sourced from PubChem (CID 5152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).