2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide

C15H25N3O2 — CID 119431025

IUPAC2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C15H25N3O2/c1-16-9-6-10-17-15(19)13-7-4-5-8-14(13)20-12-11-18(2)3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyVSLJJECHIMUGOC-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.97
Rot. Bonds9

About 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide

2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119431025) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
PubChem CID119431025
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C15H25N3O2/c1-16-9-6-10-17-15(19)13-7-4-5-8-14(13)20-12-11-18(2)3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyVSLJJECHIMUGOC-UHFFFAOYSA-N
XLogP0.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]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

2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
2-propoxy-N-propylbenzamide
CID 58831728
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 119048184
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2-butoxy-N-prop-2-enylbenzamide
CID 4941031

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide (CID 119431025) is 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccccc1OCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is VSLJJECHIMUGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-9-6-10-17-15(19)13-7-4-5-8-14(13)20-12-11-18(2)3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide?
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 279.38 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119431025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).