2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide

C13H28N2O2 — CID 79814605

IUPAC2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NCCOCCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-13(14,6-2)12(16)15-8-10-17-9-7-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyGFUKPENKGWDXRI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds9

About 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide

2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide (PubChem CID 79814605) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
PubChem CID79814605
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NCCOCCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-13(14,6-2)12(16)15-8-10-17-9-7-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyGFUKPENKGWDXRI-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'}

Analyze 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide 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-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
CID 112547757
4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 107836178
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
CID 115760321
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
(2S)-2-amino-3-methyl-N-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethyl]butanamide
CID 82961460
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
(2S)-4-amino-2-[2-(3-methylbutoxy)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718851
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide (CID 79814605) is 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide is CCC(N)(CC)C(=O)NCCOCCC(C)C.
What is the InChIKey of 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide?
The InChIKey is GFUKPENKGWDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-13(14,6-2)12(16)15-8-10-17-9-7-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide?
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide 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 2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide is sourced from PubChem (CID 79814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).