2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide

C18H20N2O2 — CID 4261144

IUPAC2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
SMILESCc1cccc(OCC(=O)NN=CC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-14-7-6-10-17(11-14)22-13-18(21)20-19-12-15(2)16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3,(H,20,21)
InChIKeyVUOFPMAFHQSNCO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide

2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide (PubChem CID 4261144) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
PubChem CID4261144
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
SMILESCc1cccc(OCC(=O)NN=CC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-14-7-6-10-17(11-14)22-13-18(21)20-19-12-15(2)16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3,(H,20,21)
InChIKeyVUOFPMAFHQSNCO-UHFFFAOYSA-N
XLogP3.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
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

2-(2,6-dimethylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 71950765
2-(2,6-dimethylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 40746747
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 4231625

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide (CID 4261144) is 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide is Cc1cccc(OCC(=O)NN=CC(C)c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide?
The InChIKey is VUOFPMAFHQSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-7-6-10-17(11-14)22-13-18(21)20-19-12-15(2)16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide?
2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide is sourced from PubChem (CID 4261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).