N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide

C12H28N4O3 — CID 144897586

IUPACN-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide
SMILESCNCCNCCOCCOCCC(=O)NCCN
InChIInChI=1S/C12H28N4O3/c1-14-5-6-15-7-9-19-11-10-18-8-2-12(17)16-4-3-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyBLVFSZWNCPPEFV-UHFFFAOYSA-N
MW276.38 g/mol
LogP-1.71
Rot. Bonds14

About N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide

N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide (PubChem CID 144897586) has the molecular formula C12H28N4O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide
PubChem CID144897586
Molecular FormulaC12H28N4O3
Molecular Weight276.38 g/mol
Exact Mass276.22
IUPAC NameN-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide
SMILESCNCCNCCOCCOCCC(=O)NCCN
InChIInChI=1S/C12H28N4O3/c1-14-5-6-15-7-9-19-11-10-18-8-2-12(17)16-4-3-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyBLVFSZWNCPPEFV-UHFFFAOYSA-N
XLogP-1.71
TPSA97.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide 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

3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 169185271
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide
CID 153398683
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide (CID 144897586) is N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide is CNCCNCCOCCOCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide?
The InChIKey is BLVFSZWNCPPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O3/c1-14-5-6-15-7-9-19-11-10-18-8-2-12(17)16-4-3-13/h14-15H,2-11,13H2,1H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide?
N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide has a molecular weight of 276.38 g/mol, XLogP of -1.71, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 144897586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).