2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium

C17H28N2O2U — CID 58455901

IUPAC2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium
SMILESCC(C)(C)NC(Cc1ccc(NO)cc1)C(=O)C(C)(C)C.[U]
InChIInChI=1S/C17H28N2O2.U/c1-16(2,3)15(20)14(18-17(4,5)6)11-12-7-9-13(19-21)10-8-12;/h7-10,14,18-19,21H,11H2,1-6H3;
InChIKeyZMEDJQIELFMNOE-UHFFFAOYSA-N
MW530.45 g/mol
LogP3.40
Rot. Bonds5

About 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium

2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium (PubChem CID 58455901) has the molecular formula C17H28N2O2U and a molecular weight of 530.45 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium
PubChem CID58455901
Molecular FormulaC17H28N2O2U
Molecular Weight530.45 g/mol
Exact Mass530.27
IUPAC Name2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium
SMILESCC(C)(C)NC(Cc1ccc(NO)cc1)C(=O)C(C)(C)C.[U]
InChIInChI=1S/C17H28N2O2.U/c1-16(2,3)15(20)14(18-17(4,5)6)11-12-7-9-13(19-21)10-8-12;/h7-10,14,18-19,21H,11H2,1-6H3;
InChIKeyZMEDJQIELFMNOE-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 20821100
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 155649527
2-(tert-butylamino)-3-(4-chlorophenyl)propanoic acid
CID 59385300
(2S)-1-[4-(aminomethyl)phenyl]-4,4-dimethyl-2-(2-methylpentan-2-ylamino)pentan-3-one
CID 134590723
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735
(2S)-2-(tert-butylamino)-1-(6-chloro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 177273359
(4S)-4-(tert-butylamino)-5-[4-(hydroxymethyl)anilino]-5-oxopentanoic acid
CID 171058281
2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71154738
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
CID 134192634
2-(tert-butylamino)-7,7-dimethyl-5-pentyl-1-phenyloctane-3,6-dione
CID 159253076
methyl 2-(tert-butylamino)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CID 135049262
(2S)-2-(tert-butylamino)-1-(1-tert-butylindol-2-yl)-4,4-dimethylpentan-3-one
CID 171748897

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium?
The IUPAC name of 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium (CID 58455901) is 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium.
What is the SMILES notation for 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium?
The canonical SMILES for 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium is CC(C)(C)NC(Cc1ccc(NO)cc1)C(=O)C(C)(C)C.[U].
What is the InChIKey of 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium?
The InChIKey is ZMEDJQIELFMNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.U/c1-16(2,3)15(20)14(18-17(4,5)6)11-12-7-9-13(19-21)10-8-12;/h7-10,14,18-19,21H,11H2,1-6H3;.
What are the key properties of 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium?
2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium has a molecular weight of 530.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[4-(hydroxyamino)phenyl]-4,4-dimethylpentan-3-one;uranium is sourced from PubChem (CID 58455901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).