ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine

C26H51N3O8 — CID 143996963

IUPACethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine
SMILESCCCCCCCCCCCC(=O)N(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)OCC.NO
InChIInChI=1S/C26H48N2O7.H3NO/c1-5-9-10-11-12-13-14-15-16-17-23(29)28(22-26(32)35-8-4)19-18-27(20-24(30)33-6-2)21-25(31)34-7-3;1-2/h5-22H2,1-4H3;2H,1H2
InChIKeyRUZOJILBRBXHJZ-UHFFFAOYSA-N
MW533.71 g/mol
LogP3.06
Rot. Bonds22

About ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine

ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine (PubChem CID 143996963) has the molecular formula C26H51N3O8 and a molecular weight of 533.71 g/mol. Its IUPAC name is ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine.

Molecular Properties

Compound Nameethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine
PubChem CID143996963
Molecular FormulaC26H51N3O8
Molecular Weight533.71 g/mol
Exact Mass533.37
IUPAC Nameethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine
SMILESCCCCCCCCCCCC(=O)N(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)OCC.NO
InChIInChI=1S/C26H48N2O7.H3NO/c1-5-9-10-11-12-13-14-15-16-17-23(29)28(22-26(32)35-8-4)19-18-27(20-24(30)33-6-2)21-25(31)34-7-3;1-2/h5-22H2,1-4H3;2H,1H2
InChIKeyRUZOJILBRBXHJZ-UHFFFAOYSA-N
XLogP3.06
TPSA148.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
2-[carboxymethyl-[2-[carboxymethyl(hexanoyl)amino]ethyl]amino]acetic acid;propan-1-amine
CID 143996964
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
CID 61006881
2-(2-butoxyethoxy)ethyl 2-[[2-[2-(2-butoxyethoxy)ethoxy]-2-oxoethyl]-hexadecanoylamino]acetate
CID 616142
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
CID 107860351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine?
The IUPAC name of ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine (CID 143996963) is ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine.
What is the SMILES notation for ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine?
The canonical SMILES for ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine is CCCCCCCCCCCC(=O)N(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)OCC.NO.
What is the InChIKey of ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine?
The InChIKey is RUZOJILBRBXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O7.H3NO/c1-5-9-10-11-12-13-14-15-16-17-23(29)28(22-26(32)35-8-4)19-18-27(20-24(30)33-6-2)21-25(31)34-7-3;1-2/h5-22H2,1-4H3;2H,1H2.
What are the key properties of ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine?
ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine has a molecular weight of 533.71 g/mol, XLogP of 3.06, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine is sourced from PubChem (CID 143996963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).