N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide

C15H22Cl2N2O2 — CID 102980777

IUPACN-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
SMILESCCCC(C)OCCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-3-5-10(2)21-7-4-6-14(20)19-15-12(16)8-11(18)9-13(15)17/h8-10H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyAMDXQZNDRIZCQE-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.50
Rot. Bonds8

About N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide

N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide (PubChem CID 102980777) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
PubChem CID102980777
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
SMILESCCCC(C)OCCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-3-5-10(2)21-7-4-6-14(20)19-15-12(16)8-11(18)9-13(15)17/h8-10H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyAMDXQZNDRIZCQE-UHFFFAOYSA-N
XLogP4.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
CID 103283073
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(4-amino-2,6-dichlorophenyl)-2-(3,3-dimethylbutoxy)propanamide
CID 66232439

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide (CID 102980777) is N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide is CCCC(C)OCCCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide?
The InChIKey is AMDXQZNDRIZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-3-5-10(2)21-7-4-6-14(20)19-15-12(16)8-11(18)9-13(15)17/h8-10H,3-7,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide?
N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide has a molecular weight of 333.26 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide is sourced from PubChem (CID 102980777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).