tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate

C16H31NO4 — CID 177260384

IUPACtert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate
SMILESCON(C)C(=O)CCCCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-16(2,3)21-15(19)13-11-9-7-6-8-10-12-14(18)17(4)20-5/h6-13H2,1-5H3
InChIKeyPHGQHTQWTWASGG-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.47
Rot. Bonds10

About tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate

tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate (PubChem CID 177260384) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate.

Molecular Properties

Compound Nametert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate
PubChem CID177260384
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Nametert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate
SMILESCON(C)C(=O)CCCCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-16(2,3)21-15(19)13-11-9-7-6-8-10-12-14(18)17(4)20-5/h6-13H2,1-5H3
InChIKeyPHGQHTQWTWASGG-UHFFFAOYSA-N
XLogP3.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate?
The IUPAC name of tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate (CID 177260384) is tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate.
What is the SMILES notation for tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate?
The canonical SMILES for tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate is CON(C)C(=O)CCCCCCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate?
The InChIKey is PHGQHTQWTWASGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-16(2,3)21-15(19)13-11-9-7-6-8-10-12-14(18)17(4)20-5/h6-13H2,1-5H3.
What are the key properties of tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate?
tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate has a molecular weight of 301.43 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-[methoxy(methyl)amino]-10-oxodecanoate is sourced from PubChem (CID 177260384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).