N-cyclohexyl-3-iodo-N-methylpropanamide

C10H18INO — CID 118030947

IUPACN-cyclohexyl-3-iodo-N-methylpropanamide
SMILESCN(C(=O)CCI)C1CCCCC1
InChIInChI=1S/C10H18INO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyCGWSEPYYMRNFML-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.60
Rot. Bonds3

About N-cyclohexyl-3-iodo-N-methylpropanamide

N-cyclohexyl-3-iodo-N-methylpropanamide (PubChem CID 118030947) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is N-cyclohexyl-3-iodo-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-iodo-N-methylpropanamide
PubChem CID118030947
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC NameN-cyclohexyl-3-iodo-N-methylpropanamide
SMILESCN(C(=O)CCI)C1CCCCC1
InChIInChI=1S/C10H18INO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyCGWSEPYYMRNFML-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-iodo-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-3-iodo-N-methylpropanamide (CID 118030947) is N-cyclohexyl-3-iodo-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-iodo-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-3-iodo-N-methylpropanamide is CN(C(=O)CCI)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-iodo-N-methylpropanamide?
The InChIKey is CGWSEPYYMRNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of N-cyclohexyl-3-iodo-N-methylpropanamide?
N-cyclohexyl-3-iodo-N-methylpropanamide has a molecular weight of 295.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-iodo-N-methylpropanamide is sourced from PubChem (CID 118030947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).