N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide

C14H27NO4 — CID 146385360

IUPACN-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOC(C)(C)CC
InChIInChI=1S/C14H27NO4/c1-5-13(16)15-7-8-17-9-10-18-11-12-19-14(3,4)6-2/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyMEDPRWMNVZJUDV-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.53
Rot. Bonds12

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

N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 146385360) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID146385360
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC NameN-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOC(C)(C)CC
InChIInChI=1S/C14H27NO4/c1-5-13(16)15-7-8-17-9-10-18-11-12-19-14(3,4)6-2/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyMEDPRWMNVZJUDV-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 146385360) is N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCOC(C)(C)CC.
What is the InChIKey of N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is MEDPRWMNVZJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-13(16)15-7-8-17-9-10-18-11-12-19-14(3,4)6-2/h5H,1,6-12H2,2-4H3,(H,15,16).
What are the key properties of N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 273.37 g/mol, XLogP of 1.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 146385360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).