2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide

C15H22IN3O2 — CID 8907392

IUPAC2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1I)CC(=O)NC(C)C
InChIInChI=1S/C15H22IN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFTJUSPFSIZNTHG-UHFFFAOYSA-N
MW403.26 g/mol
LogP2.08
Rot. Bonds7

About 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide (PubChem CID 8907392) has the molecular formula C15H22IN3O2 and a molecular weight of 403.26 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
PubChem CID8907392
Molecular FormulaC15H22IN3O2
Molecular Weight403.26 g/mol
Exact Mass403.08
IUPAC Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1I)CC(=O)NC(C)C
InChIInChI=1S/C15H22IN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFTJUSPFSIZNTHG-UHFFFAOYSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
CID 8906660
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenyldiazenylphenyl)acetamide
CID 8907332
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 60679964
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
CID 60689127
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
CID 55434677
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
CID 55898056
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8906928

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide (CID 8907392) is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide is CCN(CC(=O)Nc1ccccc1I)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide?
The InChIKey is FTJUSPFSIZNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide?
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide has a molecular weight of 403.26 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 8907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).