N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

C16H17N3O4 — CID 2246608

IUPACN-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-12-4-2-5-13(8-12)23-11-16(21)17-10-15(20)19-18-9-14-6-3-7-22-14/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyJOKBLJMGLAYXDZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.23
Rot. Bonds7

About N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (PubChem CID 2246608) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
PubChem CID2246608
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-12-4-2-5-13(8-12)23-11-16(21)17-10-15(20)19-18-9-14-6-3-7-22-14/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyJOKBLJMGLAYXDZ-UHFFFAOYSA-N
XLogP1.23
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.23
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

4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6029442
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
CID 832440
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 97034194
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (CID 2246608) is N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is Cc1cccc(OCC(=O)NCC(=O)NN=Cc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is JOKBLJMGLAYXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-12-4-2-5-13(8-12)23-11-16(21)17-10-15(20)19-18-9-14-6-3-7-22-14/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 2246608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).