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

C16H30N2O5 — CID 58462329

IUPACN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNC(=O)CC
InChIInChI=1S/C16H30N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3H,1,4-14H2,2H3,(H,17,19)(H,18,20)
InChIKeyCFYNASNJJSTBLI-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.64
Rot. Bonds16

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

N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 58462329) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID58462329
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC NameN-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNC(=O)CC
InChIInChI=1S/C16H30N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3H,1,4-14H2,2H3,(H,17,19)(H,18,20)
InChIKeyCFYNASNJJSTBLI-UHFFFAOYSA-N
XLogP0.64
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.64
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]propanamide?
The IUPAC name of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (CID 58462329) is N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide is C=CC(=O)NCCCOCCOCCOCCCNC(=O)CC.
What is the InChIKey of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is CFYNASNJJSTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2/h3H,1,4-14H2,2H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 0.64, 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]propanamide is sourced from PubChem (CID 58462329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).