N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride

C12H27ClN2O2 — CID 119507501

IUPACN-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)OCCC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-13-7-8-14-12(15)11(4)16-9-6-10(2)3;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyJRTGMUJZNNCRQW-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.59
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride (PubChem CID 119507501) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride
PubChem CID119507501
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC NameN-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)OCCC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-13-7-8-14-12(15)11(4)16-9-6-10(2)3;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyJRTGMUJZNNCRQW-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride 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

N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119407306
2-[2-(ethylamino)ethoxy]-N-pentan-2-ylpropanamide
CID 62336105
2-[2-(ethylamino)ethoxy]-N-prop-2-enylpropanamide
CID 62338219
N-ethyl-2-(2-methoxyethoxy)propanamide
CID 169160574
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119523589
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride (CID 119507501) is N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride is CCNCCNC(=O)C(C)OCCC(C)C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride?
The InChIKey is JRTGMUJZNNCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-5-13-7-8-14-12(15)11(4)16-9-6-10(2)3;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride is sourced from PubChem (CID 119507501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).