4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide

C13H21N3O — CID 171391868

IUPAC4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide
SMILES[2H]c1c([2H])c(C(=O)NCCN(CC)CC)c([2H])c([2H])c1N
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/i5D,6D,7D,8D
InChIKeyREQCZEXYDRLIBE-KDWZCNHSSA-N
MW239.36 g/mol
LogP1.34
Rot. Bonds6

About 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide

4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 171391868) has the molecular formula C13H21N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide
PubChem CID171391868
Molecular FormulaC13H21N3O
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide
SMILES[2H]c1c([2H])c(C(=O)NCCN(CC)CC)c([2H])c([2H])c1N
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/i5D,6D,7D,8D
InChIKeyREQCZEXYDRLIBE-KDWZCNHSSA-N
XLogP1.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)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

p-Aminohippuric acid
CID 2148
Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
N-Acetylprocainamide
CID 4342
Tacedinaline
CID 2746
Balicatib
CID 10201696
Acecainide Hydrochloride
CID 71417
2-Amino-N-isopropylbenzamide
CID 94411
Dinaline
CID 42725
Declopramide
CID 70177
RG-2833
CID 56654642
4-amino-N,N-diethylbenzamide
CID 458760

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide (CID 171391868) is 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide is [2H]c1c([2H])c(C(=O)NCCN(CC)CC)c([2H])c([2H])c1N.
What is the InChIKey of 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is REQCZEXYDRLIBE-KDWZCNHSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/i5D,6D,7D,8D.
What are the key properties of 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide?
4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 239.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 171391868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).