N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide

C12H26N2O2 — CID 106357215

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-16-9-7-11(15)14-10(6-8-13)12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyBGKLBMUWZNAOGA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds7

About N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide (PubChem CID 106357215) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide
PubChem CID106357215
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-16-9-7-11(15)14-10(6-8-13)12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyBGKLBMUWZNAOGA-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide (CID 106357215) is N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide is CCOCCC(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide?
The InChIKey is BGKLBMUWZNAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-16-9-7-11(15)14-10(6-8-13)12(2,3)4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide is sourced from PubChem (CID 106357215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).