3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide

C13H19NO2 — CID 169442366

IUPAC3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
SMILES[2H]C([2H])([2H])C(C(=O)NO)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)/i3D3
InChIKeyBYPIURIATSUHDW-HPRDVNIFSA-N
MW224.32 g/mol
LogP2.49
Rot. Bonds5

About 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide

3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 169442366) has the molecular formula C13H19NO2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID169442366
Molecular FormulaC13H19NO2
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
SMILES[2H]C([2H])([2H])C(C(=O)NO)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)/i3D3
InChIKeyBYPIURIATSUHDW-HPRDVNIFSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-(3,3,3-trideuterio-2-methylpropyl)phenyl]propanoic acid
CID 59015002
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
(5S)-5-[4-(2-methylpropyl)phenyl]hexane-2,4-dione
CID 69060435
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11817897
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide (CID 169442366) is 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide is [2H]C([2H])([2H])C(C(=O)NO)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is BYPIURIATSUHDW-HPRDVNIFSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)/i3D3.
What are the key properties of 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide?
3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 224.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 169442366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).