N-(6-iodohexyl)-3-(4-methylphenyl)propanamide

C16H24INO — CID 107848485

IUPACN-(6-iodohexyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCCCI)cc1
InChIInChI=1S/C16H24INO/c1-14-6-8-15(9-7-14)10-11-16(19)18-13-5-3-2-4-12-17/h6-9H,2-5,10-13H2,1H3,(H,18,19)
InChIKeyPODXPMWPMKQACQ-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.04
Rot. Bonds9

About N-(6-iodohexyl)-3-(4-methylphenyl)propanamide

N-(6-iodohexyl)-3-(4-methylphenyl)propanamide (PubChem CID 107848485) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(6-iodohexyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-3-(4-methylphenyl)propanamide
PubChem CID107848485
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC NameN-(6-iodohexyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCCCI)cc1
InChIInChI=1S/C16H24INO/c1-14-6-8-15(9-7-14)10-11-16(19)18-13-5-3-2-4-12-17/h6-9H,2-5,10-13H2,1H3,(H,18,19)
InChIKeyPODXPMWPMKQACQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(6-iodohexyl)-3-(4-methylphenyl)propanamide (CID 107848485) is N-(6-iodohexyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(6-iodohexyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(6-iodohexyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCCCCI)cc1.
What is the InChIKey of N-(6-iodohexyl)-3-(4-methylphenyl)propanamide?
The InChIKey is PODXPMWPMKQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO/c1-14-6-8-15(9-7-14)10-11-16(19)18-13-5-3-2-4-12-17/h6-9H,2-5,10-13H2,1H3,(H,18,19).
What are the key properties of N-(6-iodohexyl)-3-(4-methylphenyl)propanamide?
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide has a molecular weight of 373.28 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 107848485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).