2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate

C19H38N2O5 — CID 155627918

IUPAC2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate
SMILESCCOCCOCCOC(=O)C(CC)CC(C)C(=O)NCCCN(C)C
InChIInChI=1S/C19H38N2O5/c1-6-17(19(23)26-14-13-25-12-11-24-7-2)15-16(3)18(22)20-9-8-10-21(4)5/h16-17H,6-15H2,1-5H3,(H,20,22)
InChIKeyOPTFJQIPKWTAMU-UHFFFAOYSA-N
MW374.52 g/mol
LogP1.70
Rot. Bonds16

About 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate

2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate (PubChem CID 155627918) has the molecular formula C19H38N2O5 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate
PubChem CID155627918
Molecular FormulaC19H38N2O5
Molecular Weight374.52 g/mol
Exact Mass374.28
IUPAC Name2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate
SMILESCCOCCOCCOC(=O)C(CC)CC(C)C(=O)NCCCN(C)C
InChIInChI=1S/C19H38N2O5/c1-6-17(19(23)26-14-13-25-12-11-24-7-2)15-16(3)18(22)20-9-8-10-21(4)5/h16-17H,6-15H2,1-5H3,(H,20,22)
InChIKeyOPTFJQIPKWTAMU-UHFFFAOYSA-N
XLogP1.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate 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

2,2-dimethylpropyl 7-[3-(dimethylamino)propylamino]-2-ethyl-6-methyl-7-oxoheptanoate
CID 118200596
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
1-O-[2-(dimethylamino)ethyl] 5-O-docosyl 4-ethyl-2-methylpentanedioate;methane
CID 160751853
1-O-butyl 5-O-(2-hydroxyethyl) 4-[2-[3-(diethylamino)propylcarbamoyl]butyl]-2-methylpentanedioate
CID 58586512
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
1-O-(2-hydroxyethyl) 5-O-methyl 2-ethyl-4-methylpentanedioate
CID 22892400
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate (CID 155627918) is 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate is CCOCCOCCOC(=O)C(CC)CC(C)C(=O)NCCCN(C)C.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate?
The InChIKey is OPTFJQIPKWTAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O5/c1-6-17(19(23)26-14-13-25-12-11-24-7-2)15-16(3)18(22)20-9-8-10-21(4)5/h16-17H,6-15H2,1-5H3,(H,20,22).
What are the key properties of 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate?
2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate has a molecular weight of 374.52 g/mol, XLogP of 1.70, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 5-[3-(dimethylamino)propylamino]-2-ethyl-4-methyl-5-oxopentanoate is sourced from PubChem (CID 155627918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).