(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide

C14H26N2O3 — CID 18458068

IUPAC(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)6-12(8-17)16-14(19)13(7-10(3)4)15-11(5)18/h8-10,12-13H,6-7H2,1-5H3,(H,15,18)(H,16,19)/t12-,13-/m0/s1
InChIKeyXFJCGEMSBATLKB-STQMWFEESA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds8

About (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide

(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 18458068) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID18458068
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)6-12(8-17)16-14(19)13(7-10(3)4)15-11(5)18/h8-10,12-13H,6-7H2,1-5H3,(H,15,18)(H,16,19)/t12-,13-/m0/s1
InChIKeyXFJCGEMSBATLKB-STQMWFEESA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
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)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (CID 18458068) is (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C.
What is the InChIKey of (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The InChIKey is XFJCGEMSBATLKB-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)6-12(8-17)16-14(19)13(7-10(3)4)15-11(5)18/h8-10,12-13H,6-7H2,1-5H3,(H,15,18)(H,16,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 270.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 18458068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).