N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide

C14H21Cl2N3O2 — CID 61428718

IUPACN-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
SMILESCOCCN(C)CCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O2/c1-19(6-7-21-2)5-3-4-13(20)18-14-11(16)8-10(15)9-12(14)17/h8-9H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyKUSMZNVAXZMGMM-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.87
Rot. Bonds8

About N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide

N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide (PubChem CID 61428718) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
PubChem CID61428718
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
SMILESCOCCN(C)CCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O2/c1-19(6-7-21-2)5-3-4-13(20)18-14-11(16)8-10(15)9-12(14)17/h8-9H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyKUSMZNVAXZMGMM-UHFFFAOYSA-N
XLogP2.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide (CID 61428718) is N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide is COCCN(C)CCCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The InChIKey is KUSMZNVAXZMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O2/c1-19(6-7-21-2)5-3-4-13(20)18-14-11(16)8-10(15)9-12(14)17/h8-9H,3-7,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide has a molecular weight of 334.25 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 61428718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).