N-ethyl-N-[2-(ethylamino)ethyl]benzamide

C13H20N2O — CID 12892915

IUPACN-ethyl-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCN(CC)C(=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-14-10-11-15(4-2)13(16)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyHSQOBYAEQXNVQG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds6

About N-ethyl-N-[2-(ethylamino)ethyl]benzamide

N-ethyl-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 12892915) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)ethyl]benzamide
PubChem CID12892915
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-ethyl-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCN(CC)C(=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-14-10-11-15(4-2)13(16)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyHSQOBYAEQXNVQG-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[2-(ethylamino)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

CID 174412487
CID 174412487
ethane;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 143933020
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
CID 142910544
N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155960172
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
CID 102234851
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)ethyl]benzamide (CID 12892915) is N-ethyl-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)ethyl]benzamide is CCNCCN(CC)C(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is HSQOBYAEQXNVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-14-10-11-15(4-2)13(16)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(ethylamino)ethyl]benzamide?
N-ethyl-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 220.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 12892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).