3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one

C11H14INO2 — CID 116594145

IUPAC3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one
SMILESCOCC(N)C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-15-7-10(13)11(14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3
InChIKeyWUOCGUDNCLVKGH-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one

3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one (PubChem CID 116594145) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one
PubChem CID116594145
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one
SMILESCOCC(N)C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-15-7-10(13)11(14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3
InChIKeyWUOCGUDNCLVKGH-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.38
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

3-(4-iodophenyl)-1,1-dimethoxypropan-2-one
CID 79492104
3-ethoxy-1-(4-iodophenyl)butan-2-one
CID 58079389
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
(3S)-3-amino-1-[2-(aminomethyl)phenyl]-4-methoxybutan-2-one
CID 91665904
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
1-(4-iodophenyl)-3-methylhexan-2-one
CID 114974127
3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
CID 132581734
4-amino-1-(4-iodophenyl)-5-methylhexan-2-one
CID 116606384
1-(4-iodophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586957

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one?
The IUPAC name of 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one (CID 116594145) is 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one.
What is the SMILES notation for 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one?
The canonical SMILES for 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one is COCC(N)C(=O)Cc1ccc(I)cc1.
What is the InChIKey of 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one?
The InChIKey is WUOCGUDNCLVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-15-7-10(13)11(14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3.
What are the key properties of 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one?
3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one has a molecular weight of 319.14 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one is sourced from PubChem (CID 116594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).