6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide

C24H42N4O6 — CID 166503839

IUPAC6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
SMILESC=CC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)C=C
InChIInChI=1S/C24H42N4O6/c1-3-21(29)25-13-9-5-7-11-23(31)27-15-17-33-19-20-34-18-16-28-24(32)12-8-6-10-14-26-22(30)4-2/h3-4H,1-2,5-20H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRCLCXOHWQKEYEB-UHFFFAOYSA-N
MW482.62 g/mol
LogP0.98
Rot. Bonds23

About 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide

6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide (PubChem CID 166503839) has the molecular formula C24H42N4O6 and a molecular weight of 482.62 g/mol. Its IUPAC name is 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide.

Molecular Properties

Compound Name6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
PubChem CID166503839
Molecular FormulaC24H42N4O6
Molecular Weight482.62 g/mol
Exact Mass482.31
IUPAC Name6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
SMILESC=CC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)C=C
InChIInChI=1S/C24H42N4O6/c1-3-21(29)25-13-9-5-7-11-23(31)27-15-17-33-19-20-34-18-16-28-24(32)12-8-6-10-14-26-22(30)4-2/h3-4H,1-2,5-20H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRCLCXOHWQKEYEB-UHFFFAOYSA-N
XLogP0.98
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 50.98
H-Bond Donors ≤ 54
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'}

Analyze 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide with MolForge

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Related Compounds

N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-(prop-2-enoylamino)propyl]-6-sulfanylhexanamide
CID 118143471
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
CID 131887558
CID 131887558
3-[2-[2-[2-[2-[6-[[(Z)-4-methoxy-4-oxobut-2-enoyl]amino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146387622
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768

Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide?
The IUPAC name of 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide (CID 166503839) is 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide.
What is the SMILES notation for 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide?
The canonical SMILES for 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide is C=CC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)C=C.
What is the InChIKey of 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide?
The InChIKey is RCLCXOHWQKEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O6/c1-3-21(29)25-13-9-5-7-11-23(31)27-15-17-33-19-20-34-18-16-28-24(32)12-8-6-10-14-26-22(30)4-2/h3-4H,1-2,5-20H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide?
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide has a molecular weight of 482.62 g/mol, XLogP of 0.98, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide is sourced from PubChem (CID 166503839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).