N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide

C14H28N2O2 — CID 22791461

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-8-9-13(17)16-12(14(15)18)10-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,18)(H,16,17)/t12-/m0/s1
InChIKeyLDZCYKRWDMHHOQ-LBPRGKRZSA-N
MW256.39 g/mol
LogP2.36
Rot. Bonds10

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide (PubChem CID 22791461) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide
PubChem CID22791461
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-8-9-13(17)16-12(14(15)18)10-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,18)(H,16,17)/t12-/m0/s1
InChIKeyLDZCYKRWDMHHOQ-LBPRGKRZSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide (CID 22791461) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide?
The InChIKey is LDZCYKRWDMHHOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-7-8-9-13(17)16-12(14(15)18)10-11(2)3/h11-12H,4-10H2,1-3H3,(H2,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide has a molecular weight of 256.39 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]octanamide is sourced from PubChem (CID 22791461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).