N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide

C16H18N2O3 — CID 832440

IUPACN-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NN=Cc2ccco2)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-11-7-12(2)16(13(3)8-11)21-10-15(19)18-17-9-14-5-4-6-20-14/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyCIESUVJYMQWROD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.73
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide

N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 832440) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID832440
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NN=Cc2ccco2)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-11-7-12(2)16(13(3)8-11)21-10-15(19)18-17-9-14-5-4-6-20-14/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyCIESUVJYMQWROD-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 6040206
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 19207892
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide (CID 832440) is N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NN=Cc2ccco2)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is CIESUVJYMQWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-7-12(2)16(13(3)8-11)21-10-15(19)18-17-9-14-5-4-6-20-14/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 832440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).