N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine

C13H29N3O2 — CID 145435395

IUPACN-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
SMILESCCCCCCCC(=O)NC(C=O)CCN.CN
InChIInChI=1S/C12H24N2O2.CH5N/c1-2-3-4-5-6-7-12(16)14-11(10-15)8-9-13;1-2/h10-11H,2-9,13H2,1H3,(H,14,16);2H2,1H3
InChIKeyAQKGLRUJHTXGTF-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.95
Rot. Bonds10

About N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine

N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine (PubChem CID 145435395) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine.

Molecular Properties

Compound NameN-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
PubChem CID145435395
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
SMILESCCCCCCCC(=O)NC(C=O)CCN.CN
InChIInChI=1S/C12H24N2O2.CH5N/c1-2-3-4-5-6-7-12(16)14-11(10-15)8-9-13;1-2/h10-11H,2-9,13H2,1H3,(H,14,16);2H2,1H3
InChIKeyAQKGLRUJHTXGTF-UHFFFAOYSA-N
XLogP0.95
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxohexan-2-yl)decanamide
CID 57129531
(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
CID 135254438
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-(6-aminohexan-2-yl)octanamide
CID 123172105
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-pentan-2-ylundecanamide
CID 173258559
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine?
The IUPAC name of N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine (CID 145435395) is N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine.
What is the SMILES notation for N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine?
The canonical SMILES for N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine is CCCCCCCC(=O)NC(C=O)CCN.CN.
What is the InChIKey of N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine?
The InChIKey is AQKGLRUJHTXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.CH5N/c1-2-3-4-5-6-7-12(16)14-11(10-15)8-9-13;1-2/h10-11H,2-9,13H2,1H3,(H,14,16);2H2,1H3.
What are the key properties of N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine?
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine has a molecular weight of 259.39 g/mol, XLogP of 0.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine is sourced from PubChem (CID 145435395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).