benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate

C17H28N2O3 — CID 57301995

IUPACbenzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate
SMILESCCN(CCNCCC(=O)OCc1ccccc1)CCOC
InChIInChI=1S/C17H28N2O3/c1-3-19(13-14-21-2)12-11-18-10-9-17(20)22-15-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3
InChIKeyFJHOKMMEIQKEQM-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.68
Rot. Bonds12

About benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate

benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate (PubChem CID 57301995) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate
PubChem CID57301995
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namebenzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate
SMILESCCN(CCNCCC(=O)OCc1ccccc1)CCOC
InChIInChI=1S/C17H28N2O3/c1-3-19(13-14-21-2)12-11-18-10-9-17(20)22-15-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3
InChIKeyFJHOKMMEIQKEQM-UHFFFAOYSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate 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

benzyl 5-[ethyl(propyl)amino]pentanoate
CID 168985583
CID 59270509
CID 59270509
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 118137228
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
benzyl 3-[[3,6-diamino-5-(2-methoxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoate
CID 67890720
1-[ethyl(2-methoxyethyl)amino]-3-phenylpropan-2-one
CID 54949080
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
1-O-benzyl 4-O-[(2-hydroxyacetyl)oxymethyl] butanedioate
CID 71345343
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
benzyl 4-[(4-oxo-4-phenylmethoxybutyl)-(3-oxo-3-phenylmethoxypropyl)amino]butanoate
CID 134252022

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate?
The IUPAC name of benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate (CID 57301995) is benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate.
What is the SMILES notation for benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate?
The canonical SMILES for benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate is CCN(CCNCCC(=O)OCc1ccccc1)CCOC.
What is the InChIKey of benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate?
The InChIKey is FJHOKMMEIQKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-19(13-14-21-2)12-11-18-10-9-17(20)22-15-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3.
What are the key properties of benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate?
benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate has a molecular weight of 308.42 g/mol, XLogP of 1.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate is sourced from PubChem (CID 57301995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).