N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate

C16H21N2O6- — CID 59649147

IUPACN-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate
SMILESO=Cc1ccccc1/C([O-])=N/CCOCCOCCNCC(=O)O
InChIInChI=1S/C16H22N2O6/c19-12-13-3-1-2-4-14(13)16(22)18-6-8-24-10-9-23-7-5-17-11-15(20)21/h1-4,12,17H,5-11H2,(H,18,22)(H,20,21)/p-1
InChIKeyPFAPSIRNEDXOMS-UHFFFAOYSA-M
MW337.35 g/mol
LogP-0.69
Rot. Bonds13

About N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate

N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate (PubChem CID 59649147) has the molecular formula C16H21N2O6- and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate.

Molecular Properties

Compound NameN-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate
PubChem CID59649147
Molecular FormulaC16H21N2O6-
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate
SMILESO=Cc1ccccc1/C([O-])=N/CCOCCOCCNCC(=O)O
InChIInChI=1S/C16H22N2O6/c19-12-13-3-1-2-4-14(13)16(22)18-6-8-24-10-9-23-7-5-17-11-15(20)21/h1-4,12,17H,5-11H2,(H,18,22)(H,20,21)/p-1
InChIKeyPFAPSIRNEDXOMS-UHFFFAOYSA-M
XLogP-0.69
TPSA120.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate?
The IUPAC name of N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate (CID 59649147) is N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate.
What is the SMILES notation for N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate?
The canonical SMILES for N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate is O=Cc1ccccc1/C([O-])=N/CCOCCOCCNCC(=O)O.
What is the InChIKey of N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate?
The InChIKey is PFAPSIRNEDXOMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22N2O6/c19-12-13-3-1-2-4-14(13)16(22)18-6-8-24-10-9-23-7-5-17-11-15(20)21/h1-4,12,17H,5-11H2,(H,18,22)(H,20,21)/p-1.
What are the key properties of N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate?
N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate has a molecular weight of 337.35 g/mol, XLogP of -0.69, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate is sourced from PubChem (CID 59649147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).