(2S)-N-benzyl-2-methylbutanamide

C12H17NO — CID 56672539

IUPAC(2S)-N-benzyl-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyOMWMOLVRLSTOFY-JTQLQIEISA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds4

About (2S)-N-benzyl-2-methylbutanamide

(2S)-N-benzyl-2-methylbutanamide (PubChem CID 56672539) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-N-benzyl-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-methylbutanamide
PubChem CID56672539
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-N-benzyl-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyOMWMOLVRLSTOFY-JTQLQIEISA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-methylbutanamide?
The IUPAC name of (2S)-N-benzyl-2-methylbutanamide (CID 56672539) is (2S)-N-benzyl-2-methylbutanamide.
What is the SMILES notation for (2S)-N-benzyl-2-methylbutanamide?
The canonical SMILES for (2S)-N-benzyl-2-methylbutanamide is CC[C@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-methylbutanamide?
The InChIKey is OMWMOLVRLSTOFY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-methylbutanamide?
(2S)-N-benzyl-2-methylbutanamide has a molecular weight of 191.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-methylbutanamide is sourced from PubChem (CID 56672539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).