2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid

C16H32N4O6 — CID 88908512

IUPAC2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid
SMILESCCN(C)C(=O)CN(COOC)C(C)N(CC(=O)O)CC(=O)N(C)CC
InChIInChI=1S/C16H32N4O6/c1-7-17(4)14(21)9-19(11-16(23)24)13(3)20(12-26-25-6)10-15(22)18(5)8-2/h13H,7-12H2,1-6H3,(H,23,24)
InChIKeyPUJYSBUVXBCKEX-UHFFFAOYSA-N
MW376.45 g/mol
LogP-0.49
Rot. Bonds13

About 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid

2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid (PubChem CID 88908512) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid
PubChem CID88908512
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid
SMILESCCN(C)C(=O)CN(COOC)C(C)N(CC(=O)O)CC(=O)N(C)CC
InChIInChI=1S/C16H32N4O6/c1-7-17(4)14(21)9-19(11-16(23)24)13(3)20(12-26-25-6)10-15(22)18(5)8-2/h13H,7-12H2,1-6H3,(H,23,24)
InChIKeyPUJYSBUVXBCKEX-UHFFFAOYSA-N
XLogP-0.49
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid (CID 88908512) is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid is CCN(C)C(=O)CN(COOC)C(C)N(CC(=O)O)CC(=O)N(C)CC.
What is the InChIKey of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid?
The InChIKey is PUJYSBUVXBCKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c1-7-17(4)14(21)9-19(11-16(23)24)13(3)20(12-26-25-6)10-15(22)18(5)8-2/h13H,7-12H2,1-6H3,(H,23,24).
What are the key properties of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid?
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of -0.49, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-[1-[[2-[ethyl(methyl)amino]-2-oxoethyl]-(methylperoxymethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 88908512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).