(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen

C11H17NO — CID 143947472

IUPAC(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
SMILESC[C@@H](CCc1ccccc1)C(N)=O.[H][H]
InChIInChI=1S/C11H15NO.H2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H2,12,13);1H/t9-;/m0./s1
InChIKeyQPWPHVWQUTZDMF-FVGYRXGTSA-N
MW179.26 g/mol
LogP1.99
Rot. Bonds4

About (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen

(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen (PubChem CID 143947472) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
PubChem CID143947472
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
SMILESC[C@@H](CCc1ccccc1)C(N)=O.[H][H]
InChIInChI=1S/C11H15NO.H2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H2,12,13);1H/t9-;/m0./s1
InChIKeyQPWPHVWQUTZDMF-FVGYRXGTSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
2-methyl-4-phenylbutanoic acid
CID 66896591
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
2-acetamido-4-phenylbutanamide
CID 67451841
2-(2-phenylethyl)propanediamide
CID 66660020
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
acetyl 2-methyl-4-phenylbutanoate
CID 174376937
3-methyl-5-phenylpentanamide
CID 66761020
(2S)-4-phenylbutan-2-amine
CID 6994564
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen?
The IUPAC name of (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen (CID 143947472) is (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen.
What is the SMILES notation for (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen?
The canonical SMILES for (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen is C[C@@H](CCc1ccccc1)C(N)=O.[H][H].
What is the InChIKey of (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen?
The InChIKey is QPWPHVWQUTZDMF-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15NO.H2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H2,12,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen?
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen has a molecular weight of 179.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-phenylbutanamide;molecular hydrogen is sourced from PubChem (CID 143947472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).