N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide

C8H15BINO3 — CID 166527488

IUPACN-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide
SMILESC=CC(=O)NCCCOB(I)OCC
InChIInChI=1S/C8H15BINO3/c1-3-8(12)11-6-5-7-14-9(10)13-4-2/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyBUZQJEGIMZGHTQ-UHFFFAOYSA-N
MW310.93 g/mol
LogP1.15
Rot. Bonds8

About N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide

N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide (PubChem CID 166527488) has the molecular formula C8H15BINO3 and a molecular weight of 310.93 g/mol. Its IUPAC name is N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide
PubChem CID166527488
Molecular FormulaC8H15BINO3
Molecular Weight310.93 g/mol
Exact Mass311.02
IUPAC NameN-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide
SMILESC=CC(=O)NCCCOB(I)OCC
InChIInChI=1S/C8H15BINO3/c1-3-8(12)11-6-5-7-14-9(10)13-4-2/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyBUZQJEGIMZGHTQ-UHFFFAOYSA-N
XLogP1.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
CID 139841313
N-heptadecylprop-2-enamide
CID 20727742
N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
CID 144596587
diethyl 4-(prop-2-enoylamino)butyl phosphate
CID 151131859
1-O-ethyl 4-O-[4-(prop-2-enoylamino)butyl] (E)-but-2-enedioate
CID 145264557

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide?
The IUPAC name of N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide (CID 166527488) is N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide?
The canonical SMILES for N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide is C=CC(=O)NCCCOB(I)OCC.
What is the InChIKey of N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide?
The InChIKey is BUZQJEGIMZGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BINO3/c1-3-8(12)11-6-5-7-14-9(10)13-4-2/h3H,1,4-7H2,2H3,(H,11,12).
What are the key properties of N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide?
N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide has a molecular weight of 310.93 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide is sourced from PubChem (CID 166527488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).