N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide

C13H19NO — CID 176730302

IUPACN-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
SMILES[2H]C([2H])([2H])[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)9-11(3)14-13(15)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1/i3D3
InChIKeyVFMMJMOYGNCONK-LMUHODJSSA-N
MW208.32 g/mol
LogP2.85
Rot. Bonds5

About N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide

N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide (PubChem CID 176730302) has the molecular formula C13H19NO and a molecular weight of 208.32 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
PubChem CID176730302
Molecular FormulaC13H19NO
Molecular Weight208.32 g/mol
Exact Mass208.17
IUPAC NameN-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
SMILES[2H]C([2H])([2H])[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)9-11(3)14-13(15)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1/i3D3
InChIKeyVFMMJMOYGNCONK-LMUHODJSSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
N-(4-aminobutan-2-yl)benzamide
CID 62087210
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
methyl 3-benzamidobutanoate
CID 10857046

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide (CID 176730302) is N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide is [2H]C([2H])([2H])[C@H](CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide?
The InChIKey is VFMMJMOYGNCONK-LMUHODJSSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-11(3)14-13(15)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1/i3D3.
What are the key properties of N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide?
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide has a molecular weight of 208.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 176730302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).