2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane

C13H30N2O2 — CID 166554157

IUPAC2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
SMILESCC.CCCC(C)COC(C)C(N)C(=O)NC
InChIInChI=1S/C11H24N2O2.C2H6/c1-5-6-8(2)7-15-9(3)10(12)11(14)13-4;1-2/h8-10H,5-7,12H2,1-4H3,(H,13,14);1-2H3
InChIKeyZZZNFXASKBGSQH-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.93
Rot. Bonds7

About 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane

2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane (PubChem CID 166554157) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane.

Molecular Properties

Compound Name2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
PubChem CID166554157
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
SMILESCC.CCCC(C)COC(C)C(N)C(=O)NC
InChIInChI=1S/C11H24N2O2.C2H6/c1-5-6-8(2)7-15-9(3)10(12)11(14)13-4;1-2/h8-10H,5-7,12H2,1-4H3,(H,13,14);1-2H3
InChIKeyZZZNFXASKBGSQH-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
2-methyl-2-(methylamino)-4-(2-methylpentoxy)pentanamide
CID 103284859
1-(2-methylpentoxy)ethanol
CID 173285010
2-methylpentyl carbonofluoridate
CID 175528242
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664
methyl 2,6,10-trimethyltridecanoate
CID 560276
(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
CID 171594019
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane?
The IUPAC name of 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane (CID 166554157) is 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane.
What is the SMILES notation for 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane?
The canonical SMILES for 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane is CC.CCCC(C)COC(C)C(N)C(=O)NC.
What is the InChIKey of 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane?
The InChIKey is ZZZNFXASKBGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.C2H6/c1-5-6-8(2)7-15-9(3)10(12)11(14)13-4;1-2/h8-10H,5-7,12H2,1-4H3,(H,13,14);1-2H3.
What are the key properties of 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane?
2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane has a molecular weight of 246.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane is sourced from PubChem (CID 166554157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).