2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid

C16H22N2O6 — CID 59649148

IUPAC2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
SMILESO=Cc1ccccc1C(=O)NCCOCCOCCNCC(=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)
InChIKeyPFAPSIRNEDXOMS-UHFFFAOYSA-N
MW338.36 g/mol
LogP-0.06
Rot. Bonds13

About 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid

2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid (PubChem CID 59649148) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
PubChem CID59649148
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
SMILESO=Cc1ccccc1C(=O)NCCOCCOCCNCC(=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)
InChIKeyPFAPSIRNEDXOMS-UHFFFAOYSA-N
XLogP-0.06
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethyl]-2-formylbenzenecarboximidate
CID 59649147
N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
2-[(2-formylbenzoyl)amino]ethanesulfonic acid
CID 173328045
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
CID 53400535
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
3-[[2-[2-(2-methoxyethoxy)ethylcarbamoyl]anilino]disulfanyl]propanoic acid
CID 155329431
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383
2-[[2-(3-methoxy-3-oxoprop-1-enyl)benzoyl]amino]acetic acid
CID 169479829
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
2-(2-phenoxyethylamino)acetic acid
CID 13236095
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid (CID 59649148) is 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid is O=Cc1ccccc1C(=O)NCCOCCOCCNCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid?
The InChIKey is PFAPSIRNEDXOMS-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid?
2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid has a molecular weight of 338.36 g/mol, XLogP of -0.06, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid is sourced from PubChem (CID 59649148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).