2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide

C15H21IN2O2 — CID 60679964

IUPAC2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-4-18(10-15(20)17-11(2)3)9-14(19)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyRWYCHXFOJFXIGY-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.32
Rot. Bonds7

About 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 60679964) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID60679964
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Name2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-4-18(10-15(20)17-11(2)3)9-14(19)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyRWYCHXFOJFXIGY-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62037275
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036311
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
3-bromo-4-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 102767285
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796160

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 60679964) is 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is RWYCHXFOJFXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-4-18(10-15(20)17-11(2)3)9-14(19)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 388.25 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60679964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).