N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

C16H28N2O5 — CID 11500839

IUPACN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C
InChIInChI=1S/C16H28N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyOFVUNPPLROIJBD-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.42
Rot. Bonds16

About N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 11500839) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
PubChem CID11500839
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC NameN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C
InChIInChI=1S/C16H28N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyOFVUNPPLROIJBD-UHFFFAOYSA-N
XLogP0.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (CID 11500839) is N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C.
What is the InChIKey of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is OFVUNPPLROIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 328.41 g/mol, XLogP of 0.42, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 11500839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).