N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

C19H25IN2O3 — CID 19446041

IUPACN-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H25IN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23)
InChIKeyJBWBFZDEHAHAPS-UHFFFAOYSA-N
MW456.32 g/mol
LogP3.92
Rot. Bonds10

About N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (PubChem CID 19446041) has the molecular formula C19H25IN2O3 and a molecular weight of 456.32 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
PubChem CID19446041
Molecular FormulaC19H25IN2O3
Molecular Weight456.32 g/mol
Exact Mass456.09
IUPAC NameN-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H25IN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23)
InChIKeyJBWBFZDEHAHAPS-UHFFFAOYSA-N
XLogP3.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
N-[3-(diethylamino)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465978
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639
N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461738
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
4-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]butanoyl chloride
CID 19452402
5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417314
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (CID 19446041) is N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is CCN(CC)CCCNC(=O)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JBWBFZDEHAHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25IN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide has a molecular weight of 456.32 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).