N-iodo-5-(4-methylphenoxy)pentanamide

C12H16INO2 — CID 146332162

IUPACN-iodo-5-(4-methylphenoxy)pentanamide
SMILESCc1ccc(OCCCCC(=O)NI)cc1
InChIInChI=1S/C12H16INO2/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(15)14-13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyKBMOQXMOZSILID-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.01
Rot. Bonds6

About N-iodo-5-(4-methylphenoxy)pentanamide

N-iodo-5-(4-methylphenoxy)pentanamide (PubChem CID 146332162) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-iodo-5-(4-methylphenoxy)pentanamide.

Molecular Properties

Compound NameN-iodo-5-(4-methylphenoxy)pentanamide
PubChem CID146332162
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-iodo-5-(4-methylphenoxy)pentanamide
SMILESCc1ccc(OCCCCC(=O)NI)cc1
InChIInChI=1S/C12H16INO2/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(15)14-13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyKBMOQXMOZSILID-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
N-cyano-4-(4-methylphenoxy)butanamide
CID 79195319
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
CID 79676685
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1,1,1-trifluoro-7-(4-methylphenoxy)heptan-2-one
CID 58149715
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163

Frequently Asked Questions

What is the IUPAC name of N-iodo-5-(4-methylphenoxy)pentanamide?
The IUPAC name of N-iodo-5-(4-methylphenoxy)pentanamide (CID 146332162) is N-iodo-5-(4-methylphenoxy)pentanamide.
What is the SMILES notation for N-iodo-5-(4-methylphenoxy)pentanamide?
The canonical SMILES for N-iodo-5-(4-methylphenoxy)pentanamide is Cc1ccc(OCCCCC(=O)NI)cc1.
What is the InChIKey of N-iodo-5-(4-methylphenoxy)pentanamide?
The InChIKey is KBMOQXMOZSILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(15)14-13/h5-8H,2-4,9H2,1H3,(H,14,15).
What are the key properties of N-iodo-5-(4-methylphenoxy)pentanamide?
N-iodo-5-(4-methylphenoxy)pentanamide has a molecular weight of 333.17 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-5-(4-methylphenoxy)pentanamide is sourced from PubChem (CID 146332162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).