N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride

C14H22Cl2N2O — CID 3060534

IUPACN-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-5-17(6-2)11(4)14(18)16-13-10(3)8-7-9-12(13)15;/h7-9,11H,5-6H2,1-4H3,(H,16,18);1H
InChIKeyDIPKAYUCDQBHAX-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.74
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride

N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride (PubChem CID 3060534) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride
PubChem CID3060534
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-5-17(6-2)11(4)14(18)16-13-10(3)8-7-9-12(13)15;/h7-9,11H,5-6H2,1-4H3,(H,16,18);1H
InChIKeyDIPKAYUCDQBHAX-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride (CID 3060534) is N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride is CCN(CC)C(C)C(=O)Nc1c(C)cccc1Cl.Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride?
The InChIKey is DIPKAYUCDQBHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-5-17(6-2)11(4)14(18)16-13-10(3)8-7-9-12(13)15;/h7-9,11H,5-6H2,1-4H3,(H,16,18);1H.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride?
N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(diethylamino)propanamide;hydrochloride is sourced from PubChem (CID 3060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).