4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide

C11H18INO2 — CID 121366970

IUPAC4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCOC1)C1CCC(I)CC1
InChIInChI=1S/C11H18INO2/c12-9-3-1-8(2-4-9)11(14)13-10-5-6-15-7-10/h8-10H,1-7H2,(H,13,14)
InChIKeyRVQYVQPHLWKHGZ-UHFFFAOYSA-N
MW323.17 g/mol
LogP1.89
Rot. Bonds2

About 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide

4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide (PubChem CID 121366970) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
PubChem CID121366970
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCOC1)C1CCC(I)CC1
InChIInChI=1S/C11H18INO2/c12-9-3-1-8(2-4-9)11(14)13-10-5-6-15-7-10/h8-10H,1-7H2,(H,13,14)
InChIKeyRVQYVQPHLWKHGZ-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 51.89
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-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110868822
5-methyl-N-(oxolan-3-yl)piperidine-3-carboxamide
CID 80712802
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151086
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide (CID 121366970) is 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide is O=C(NC1CCOC1)C1CCC(I)CC1.
What is the InChIKey of 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is RVQYVQPHLWKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO2/c12-9-3-1-8(2-4-9)11(14)13-10-5-6-15-7-10/h8-10H,1-7H2,(H,13,14).
What are the key properties of 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 121366970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).