(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide

C14H20N2O2 — CID 141316274

IUPAC(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(C=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(2)8-12(14(15)18)16-13(9-17)11-6-4-3-5-7-11/h3-7,9-10,12-13,16H,8H2,1-2H3,(H2,15,18)/t12-,13?/m0/s1
InChIKeyKEKFQGWORFUEOD-UEWDXFNNSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds7

About (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide

(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide (PubChem CID 141316274) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide
PubChem CID141316274
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(C=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(2)8-12(14(15)18)16-13(9-17)11-6-4-3-5-7-11/h3-7,9-10,12-13,16H,8H2,1-2H3,(H2,15,18)/t12-,13?/m0/s1
InChIKeyKEKFQGWORFUEOD-UEWDXFNNSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide (CID 141316274) is (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide is CC(C)C[C@H](NC(C=O)c1ccccc1)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide?
The InChIKey is KEKFQGWORFUEOD-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)8-12(14(15)18)16-13(9-17)11-6-4-3-5-7-11/h3-7,9-10,12-13,16H,8H2,1-2H3,(H2,15,18)/t12-,13?/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide?
(2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-oxo-1-phenylethyl)amino]pentanamide is sourced from PubChem (CID 141316274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).