N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

C16H17N3O4 — CID 6373781

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESC/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccco1
InChIInChI=1S/C16H17N3O4/c1-12(14-8-5-9-22-14)18-19-15(20)10-17-16(21)11-23-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20)/b18-12-
InChIKeyYWLMOLBDLDSCEI-PDGQHHTCSA-N
MW315.33 g/mol
LogP1.32
Rot. Bonds7

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 6373781) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID6373781
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESC/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccco1
InChIInChI=1S/C16H17N3O4/c1-12(14-8-5-9-22-14)18-19-15(20)10-17-16(21)11-23-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20)/b18-12-
InChIKeyYWLMOLBDLDSCEI-PDGQHHTCSA-N
XLogP1.32
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 ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (CID 6373781) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is C/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is YWLMOLBDLDSCEI-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-12(14-8-5-9-22-14)18-19-15(20)10-17-16(21)11-23-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21)(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 6373781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).