N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide

C13H28N2O2 — CID 119598279

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
SMILESCCCCOCC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-17-9-12(16)15-13(4,10-14)8-11(2)3/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyCXFXSPPOQNLPOR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide (PubChem CID 119598279) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
PubChem CID119598279
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
SMILESCCCCOCC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-17-9-12(16)15-13(4,10-14)8-11(2)3/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyCXFXSPPOQNLPOR-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 119599208
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide
CID 167448031
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide (CID 119598279) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide is CCCCOCC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide?
The InChIKey is CXFXSPPOQNLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-7-17-9-12(16)15-13(4,10-14)8-11(2)3/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide is sourced from PubChem (CID 119598279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).