N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

C14H21Cl2N3O2 — CID 79380076

IUPACN-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)CC(C)(C)O
InChIInChI=1S/C14H21Cl2N3O2/c1-14(2,21)8-19(3)5-4-12(20)18-13-10(16)6-9(15)7-11(13)17/h6-7,21H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyGTTKWARSLXYHKE-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.61
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (PubChem CID 79380076) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
PubChem CID79380076
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)CC(C)(C)O
InChIInChI=1S/C14H21Cl2N3O2/c1-14(2,21)8-19(3)5-4-12(20)18-13-10(16)6-9(15)7-11(13)17/h6-7,21H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyGTTKWARSLXYHKE-UHFFFAOYSA-N
XLogP2.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide 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-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (CID 79380076) is N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is CN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)CC(C)(C)O.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The InChIKey is GTTKWARSLXYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O2/c1-14(2,21)8-19(3)5-4-12(20)18-13-10(16)6-9(15)7-11(13)17/h6-7,21H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide has a molecular weight of 334.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is sourced from PubChem (CID 79380076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).