N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide

C14H31N3O3 — CID 123543730

IUPACN-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
SMILESCCC(C)(CC(C)(C)N)NC(=O)COCCOCCN
InChIInChI=1S/C14H31N3O3/c1-5-14(4,11-13(2,3)16)17-12(18)10-20-9-8-19-7-6-15/h5-11,15-16H2,1-4H3,(H,17,18)
InChIKeyQXAGAHLYRDZQKT-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.39
Rot. Bonds11

About N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide

N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide (PubChem CID 123543730) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
PubChem CID123543730
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC NameN-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
SMILESCCC(C)(CC(C)(C)N)NC(=O)COCCOCCN
InChIInChI=1S/C14H31N3O3/c1-5-14(4,11-13(2,3)16)17-12(18)10-20-9-8-19-7-6-15/h5-11,15-16H2,1-4H3,(H,17,18)
InChIKeyQXAGAHLYRDZQKT-UHFFFAOYSA-N
XLogP0.39
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide 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-Ethylhexyl diglycolamide
CID 129831472
N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114152504
N-(4-ethylheptan-4-yl)-2-[2-[2-(4-ethylheptan-4-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 59101695
N-(4-amino-2,4-dimethylpentan-2-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
CID 90184467
2-[2-(2-aminoethoxy)ethoxy]-N-(4-amino-4-methylpentan-2-yl)acetamide
CID 117838275
2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
CID 123643566
2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide
CID 123782464
2-[2-(2-aminoethoxy)ethoxy]-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 137506396
2-[2-(2-aminoethoxy)ethoxy]-N-(2,4-dimethylpentan-2-yl)acetamide
CID 144781193
[2-[(4-Amino-2-ethyl-4-methylpentyl)amino]-2-oxoethyl] acetate
CID 166783709
N-[1-(aminomethyl)cyclopentyl]-2-ethoxyacetamide
CID 63753417
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide?
The IUPAC name of N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide (CID 123543730) is N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide.
What is the SMILES notation for N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide?
The canonical SMILES for N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide is CCC(C)(CC(C)(C)N)NC(=O)COCCOCCN.
What is the InChIKey of N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide?
The InChIKey is QXAGAHLYRDZQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-5-14(4,11-13(2,3)16)17-12(18)10-20-9-8-19-7-6-15/h5-11,15-16H2,1-4H3,(H,17,18).
What are the key properties of N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide?
N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide has a molecular weight of 289.42 g/mol, XLogP of 0.39, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide is sourced from PubChem (CID 123543730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).