N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide

C13H25NO3 — CID 153341756

IUPACN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCCC(C)(C)O
InChIInChI=1S/C13H25NO3/c1-6-11(15)14-9-7-13(4,5)17-10-8-12(2,3)16/h6,16H,1,7-10H2,2-5H3,(H,14,15)
InChIKeyOLNZDOZDVDCRQZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds8

About N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide

N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide (PubChem CID 153341756) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide
PubChem CID153341756
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCCC(C)(C)O
InChIInChI=1S/C13H25NO3/c1-6-11(15)14-9-7-13(4,5)17-10-8-12(2,3)16/h6,16H,1,7-10H2,2-5H3,(H,14,15)
InChIKeyOLNZDOZDVDCRQZ-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.63
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-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide?
The IUPAC name of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide (CID 153341756) is N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide is C=CC(=O)NCCC(C)(C)OCCC(C)(C)O.
What is the InChIKey of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide?
The InChIKey is OLNZDOZDVDCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-11(15)14-9-7-13(4,5)17-10-8-12(2,3)16/h6,16H,1,7-10H2,2-5H3,(H,14,15).
What are the key properties of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide?
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide is sourced from PubChem (CID 153341756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).