N-butyl-2-(4-iodophenoxy)propanamide

C13H18INO2 — CID 60718400

IUPACN-butyl-2-(4-iodophenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-3-4-9-15-13(16)10(2)17-12-7-5-11(14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyQEHCNXJUNWENPN-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.97
Rot. Bonds6

About N-butyl-2-(4-iodophenoxy)propanamide

N-butyl-2-(4-iodophenoxy)propanamide (PubChem CID 60718400) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-butyl-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-iodophenoxy)propanamide
PubChem CID60718400
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-butyl-2-(4-iodophenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-3-4-9-15-13(16)10(2)17-12-7-5-11(14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyQEHCNXJUNWENPN-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.97
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'}

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Related Compounds

(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
N-butyl-2-(4-carbamothioylphenoxy)propanamide
CID 43116867
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-iodophenoxy)propanamide?
The IUPAC name of N-butyl-2-(4-iodophenoxy)propanamide (CID 60718400) is N-butyl-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-butyl-2-(4-iodophenoxy)propanamide?
The canonical SMILES for N-butyl-2-(4-iodophenoxy)propanamide is CCCCNC(=O)C(C)Oc1ccc(I)cc1.
What is the InChIKey of N-butyl-2-(4-iodophenoxy)propanamide?
The InChIKey is QEHCNXJUNWENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-3-4-9-15-13(16)10(2)17-12-7-5-11(14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-(4-iodophenoxy)propanamide?
N-butyl-2-(4-iodophenoxy)propanamide has a molecular weight of 347.20 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 60718400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).