4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide

C17H26N2O4 — CID 166949496

IUPAC4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
SMILESCCNCc1ccc(C(=O)NCCOCCOCC(C)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-3-18-12-15-4-6-16(7-5-15)17(21)19-8-9-22-10-11-23-13-14(2)20/h4-7,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeySTNGAAZORCZILS-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.15
Rot. Bonds12

About 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide

4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide (PubChem CID 166949496) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
PubChem CID166949496
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
SMILESCCNCc1ccc(C(=O)NCCOCCOCC(C)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-3-18-12-15-4-6-16(7-5-15)17(21)19-8-9-22-10-11-23-13-14(2)20/h4-7,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeySTNGAAZORCZILS-UHFFFAOYSA-N
XLogP1.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide 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

4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 177339152
N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
4-[[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111693121
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
CID 142364697
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide (CID 166949496) is 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide is CCNCc1ccc(C(=O)NCCOCCOCC(C)=O)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The InChIKey is STNGAAZORCZILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-18-12-15-4-6-16(7-5-15)17(21)19-8-9-22-10-11-23-13-14(2)20/h4-7,18H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.15, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide is sourced from PubChem (CID 166949496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).