N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride

C11H25ClN2O2 — CID 119606115

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
SMILESCCOCCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-15-7-6-10(14)13-11(4,8-12)9(2)3;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyPORJKFHUFYLLTM-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride (PubChem CID 119606115) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
PubChem CID119606115
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
SMILESCCOCCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-5-15-7-6-10(14)13-11(4,8-12)9(2)3;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyPORJKFHUFYLLTM-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
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-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 119605686
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119605747
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 119609041
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
CID 95769073
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119608882

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride (CID 119606115) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride is CCOCCC(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride?
The InChIKey is PORJKFHUFYLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-5-15-7-6-10(14)13-11(4,8-12)9(2)3;/h9H,5-8,12H2,1-4H3,(H,13,14);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride is sourced from PubChem (CID 119606115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).