N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide

C14H28N2O2 — CID 123466540

IUPACN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C14H28N2O2/c1-11(2)12(17)16-9-7-14(5,6)18-10-8-13(3,4)15/h1,7-10,15H2,2-6H3,(H,16,17)
InChIKeyOEBOBYKYSWWMQW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.99
Rot. Bonds8

About N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide

N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide (PubChem CID 123466540) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide
PubChem CID123466540
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C14H28N2O2/c1-11(2)12(17)16-9-7-14(5,6)18-10-8-13(3,4)15/h1,7-10,15H2,2-6H3,(H,16,17)
InChIKeyOEBOBYKYSWWMQW-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide (CID 123466540) is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide?
The InChIKey is OEBOBYKYSWWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)12(17)16-9-7-14(5,6)18-10-8-13(3,4)15/h1,7-10,15H2,2-6H3,(H,16,17).
What are the key properties of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide?
N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide has a molecular weight of 256.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2-methylprop-2-enamide is sourced from PubChem (CID 123466540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).