N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride

C18H26ClN3O3 — CID 126468841

IUPACN-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
SMILESCN(C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-20(2)13-11-19-16(22)10-4-3-7-12-21-17(23)14-8-5-6-9-15(14)18(21)24;/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,22);1H
InChIKeyPWPGEMHXKXPHLC-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.94
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride

N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride (PubChem CID 126468841) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
PubChem CID126468841
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
SMILESCN(C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-20(2)13-11-19-16(22)10-4-3-7-12-21-17(23)14-8-5-6-9-15(14)18(21)24;/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,22);1H
InChIKeyPWPGEMHXKXPHLC-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride 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-[2-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide;hydrochloride
CID 126460177
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
3-(1,3-dioxoisoindol-2-yl)-N-[3-[methyl(methylsulfonyl)amino]propyl]propanamide
CID 46480407

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride (CID 126468841) is N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride is CN(C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride?
The InChIKey is PWPGEMHXKXPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-20(2)13-11-19-16(22)10-4-3-7-12-21-17(23)14-8-5-6-9-15(14)18(21)24;/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride is sourced from PubChem (CID 126468841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).