N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide

C16H28N2O6 — CID 58462330

IUPACN-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCOCCNC(=O)C=C
InChIInChI=1S/C16H28N2O6/c1-3-15(19)17-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyHKYNPLWAWKPIGT-UHFFFAOYSA-N
MW344.41 g/mol
LogP-0.34
Rot. Bonds17

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

N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 58462330) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID58462330
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC NameN-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCOCCNC(=O)C=C
InChIInChI=1S/C16H28N2O6/c1-3-15(19)17-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyHKYNPLWAWKPIGT-UHFFFAOYSA-N
XLogP-0.34
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide (CID 58462330) is N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCOCCOCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is HKYNPLWAWKPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-3-15(19)17-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 344.41 g/mol, XLogP of -0.34, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 58462330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).