N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide

C12H23NO2 — CID 138750986

IUPACN-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)CCCC
InChIInChI=1S/C12H23NO2/c1-5-7-8-12(3,4)15-10-9-13-11(14)6-2/h6H,2,5,7-10H2,1,3-4H3,(H,13,14)
InChIKeyTVTWIGBWIAISQI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide

N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide (PubChem CID 138750986) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide
PubChem CID138750986
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)CCCC
InChIInChI=1S/C12H23NO2/c1-5-7-8-12(3,4)15-10-9-13-11(14)6-2/h6H,2,5,7-10H2,1,3-4H3,(H,13,14)
InChIKeyTVTWIGBWIAISQI-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide (CID 138750986) is N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide is C=CC(=O)NCCOC(C)(C)CCCC.
What is the InChIKey of N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide?
The InChIKey is TVTWIGBWIAISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-8-12(3,4)15-10-9-13-11(14)6-2/h6H,2,5,7-10H2,1,3-4H3,(H,13,14).
What are the key properties of N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide?
N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide is sourced from PubChem (CID 138750986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).