N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide

C13H21N3O — CID 83969270

IUPACN-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCN)ccc1N(C)C
InChIInChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)15(2)3)13(17)16(4)8-7-14/h5-6,9H,7-8,14H2,1-4H3
InChIKeyKSSJGWKPOVUSTR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds4

About N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide

N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide (PubChem CID 83969270) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
PubChem CID83969270
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCN)ccc1N(C)C
InChIInChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)15(2)3)13(17)16(4)8-7-14/h5-6,9H,7-8,14H2,1-4H3
InChIKeyKSSJGWKPOVUSTR-UHFFFAOYSA-N
XLogP1.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide 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

N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 63213909
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide?
The IUPAC name of N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide (CID 83969270) is N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)CCN)ccc1N(C)C.
What is the InChIKey of N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide?
The InChIKey is KSSJGWKPOVUSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)15(2)3)13(17)16(4)8-7-14/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide?
N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 83969270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).