N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide

C15H17N3O5 — CID 6244687

IUPACN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)N/N=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O5/c19-14(16-8-11-2-1-5-21-11)15(20)18-17-7-10-3-4-12-13(6-10)23-9-22-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,16,19)(H,18,20)/b17-7-
InChIKeyHFTLNFNXDVRCSC-IDUWFGFVSA-N
MW319.32 g/mol
LogP0.16
Rot. Bonds4

About N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide

N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 6244687) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID6244687
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)N/N=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O5/c19-14(16-8-11-2-1-5-21-11)15(20)18-17-7-10-3-4-12-13(6-10)23-9-22-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,16,19)(H,18,20)/b17-7-
InChIKeyHFTLNFNXDVRCSC-IDUWFGFVSA-N
XLogP0.16
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide (CID 6244687) is N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)N/N=C\c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is HFTLNFNXDVRCSC-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-14(16-8-11-2-1-5-21-11)15(20)18-17-7-10-3-4-12-13(6-10)23-9-22-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,16,19)(H,18,20)/b17-7-.
What are the key properties of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 319.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 6244687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).