N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

C17H19N3O4 — CID 7380936

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESC/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccco1
InChIInChI=1S/C17H19N3O4/c1-12-5-3-6-14(9-12)24-11-17(22)18-10-16(21)20-19-13(2)15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,18,22)(H,20,21)/b19-13+
InChIKeyFUCBUGZHPZJSCW-CPNJWEJPSA-N
MW329.36 g/mol
LogP1.62
Rot. Bonds7

About N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (PubChem CID 7380936) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
PubChem CID7380936
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESC/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccco1
InChIInChI=1S/C17H19N3O4/c1-12-5-3-6-14(9-12)24-11-17(22)18-10-16(21)20-19-13(2)15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,18,22)(H,20,21)/b19-13+
InChIKeyFUCBUGZHPZJSCW-CPNJWEJPSA-N
XLogP1.62
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 46496046
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 3273418
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3790298
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
4-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 3763980
N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 3757889

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (CID 7380936) is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is C/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is FUCBUGZHPZJSCW-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-5-3-6-14(9-12)24-11-17(22)18-10-16(21)20-19-13(2)15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,18,22)(H,20,21)/b19-13+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 7380936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).