N-(4-iodobutyl)oxane-3-carboxamide

C10H18INO2 — CID 106846215

IUPACN-(4-iodobutyl)oxane-3-carboxamide
SMILESO=C(NCCCCI)C1CCCOC1
InChIInChI=1S/C10H18INO2/c11-5-1-2-6-12-10(13)9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13)
InChIKeyYAPFVSBMFAJSQL-UHFFFAOYSA-N
MW311.16 g/mol
LogP1.74
Rot. Bonds5

About N-(4-iodobutyl)oxane-3-carboxamide

N-(4-iodobutyl)oxane-3-carboxamide (PubChem CID 106846215) has the molecular formula C10H18INO2 and a molecular weight of 311.16 g/mol. Its IUPAC name is N-(4-iodobutyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodobutyl)oxane-3-carboxamide
PubChem CID106846215
Molecular FormulaC10H18INO2
Molecular Weight311.16 g/mol
Exact Mass311.04
IUPAC NameN-(4-iodobutyl)oxane-3-carboxamide
SMILESO=C(NCCCCI)C1CCCOC1
InChIInChI=1S/C10H18INO2/c11-5-1-2-6-12-10(13)9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13)
InChIKeyYAPFVSBMFAJSQL-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
CID 62668088
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)oxane-3-carboxamide?
The IUPAC name of N-(4-iodobutyl)oxane-3-carboxamide (CID 106846215) is N-(4-iodobutyl)oxane-3-carboxamide.
What is the SMILES notation for N-(4-iodobutyl)oxane-3-carboxamide?
The canonical SMILES for N-(4-iodobutyl)oxane-3-carboxamide is O=C(NCCCCI)C1CCCOC1.
What is the InChIKey of N-(4-iodobutyl)oxane-3-carboxamide?
The InChIKey is YAPFVSBMFAJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO2/c11-5-1-2-6-12-10(13)9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13).
What are the key properties of N-(4-iodobutyl)oxane-3-carboxamide?
N-(4-iodobutyl)oxane-3-carboxamide has a molecular weight of 311.16 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)oxane-3-carboxamide is sourced from PubChem (CID 106846215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).