N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide

C10H18INO2 — CID 107859858

IUPACN-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
SMILESCC(C)C(CI)NC(=O)C1CCOC1
InChIInChI=1S/C10H18INO2/c1-7(2)9(5-11)12-10(13)8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyFYYISBUDDSNIBX-UHFFFAOYSA-N
MW311.16 g/mol
LogP1.60
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide

N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide (PubChem CID 107859858) has the molecular formula C10H18INO2 and a molecular weight of 311.16 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
PubChem CID107859858
Molecular FormulaC10H18INO2
Molecular Weight311.16 g/mol
Exact Mass311.04
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
SMILESCC(C)C(CI)NC(=O)C1CCOC1
InChIInChI=1S/C10H18INO2/c1-7(2)9(5-11)12-10(13)8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyFYYISBUDDSNIBX-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107860044
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
CID 68534967
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
CID 56804759
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
N-[1-(4-hydroxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 75384504

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide (CID 107859858) is N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide is CC(C)C(CI)NC(=O)C1CCOC1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide?
The InChIKey is FYYISBUDDSNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO2/c1-7(2)9(5-11)12-10(13)8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide has a molecular weight of 311.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 107859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).