N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C18H33NO6 — CID 164560547

IUPACN-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESC/C=C(/C)C(=O)CCOCCOCCOCCOCCNC(=O)CC
InChIInChI=1S/C18H33NO6/c1-4-16(3)17(20)6-8-22-10-12-24-14-15-25-13-11-23-9-7-19-18(21)5-2/h4H,5-15H2,1-3H3,(H,19,21)/b16-4-
InChIKeyAAKLIDWSFRWDEV-XRVIQIRUSA-N
MW359.46 g/mol
LogP1.50
Rot. Bonds17

About N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 164560547) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID164560547
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC NameN-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESC/C=C(/C)C(=O)CCOCCOCCOCCOCCNC(=O)CC
InChIInChI=1S/C18H33NO6/c1-4-16(3)17(20)6-8-22-10-12-24-14-15-25-13-11-23-9-7-19-18(21)5-2/h4H,5-15H2,1-3H3,(H,19,21)/b16-4-
InChIKeyAAKLIDWSFRWDEV-XRVIQIRUSA-N
XLogP1.50
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
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-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 164560547) is N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is C/C=C(/C)C(=O)CCOCCOCCOCCOCCNC(=O)CC.
What is the InChIKey of N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is AAKLIDWSFRWDEV-XRVIQIRUSA-N. The full InChI is InChI=1S/C18H33NO6/c1-4-16(3)17(20)6-8-22-10-12-24-14-15-25-13-11-23-9-7-19-18(21)5-2/h4H,5-15H2,1-3H3,(H,19,21)/b16-4-.
What are the key properties of N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 359.46 g/mol, XLogP of 1.50, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 164560547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).