N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride

C13H29ClN2O2 — CID 119639970

IUPACN-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-4-7-8-9-17-10-12(16)15-11-13(14,5-2)6-3;/h4-11,14H2,1-3H3,(H,15,16);1H
InChIKeyCIWOKTUWYAATDB-UHFFFAOYSA-N
MW280.84 g/mol
LogP2.25
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride (PubChem CID 119639970) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
PubChem CID119639970
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC NameN-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-4-7-8-9-17-10-12(16)15-11-13(14,5-2)6-3;/h4-11,14H2,1-3H3,(H,15,16);1H
InChIKeyCIWOKTUWYAATDB-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 52.25
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-(2-amino-2-ethylbutyl)-2-butoxyacetamide
CID 119640904
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
CID 119641759
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119640041
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
CID 126836522
2-decoxy-N-sulfanylacetamide
CID 150404301

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride (CID 119639970) is N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride is CCCCCOCC(=O)NCC(N)(CC)CC.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride?
The InChIKey is CIWOKTUWYAATDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-4-7-8-9-17-10-12(16)15-11-13(14,5-2)6-3;/h4-11,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride is sourced from PubChem (CID 119639970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).