N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide

C15H19Cl3N2O3 — CID 9343613

IUPACN-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl3N2O3/c1-15(2,3)19-13(21)7-20(4)14(22)8-23-12-6-10(17)9(16)5-11(12)18/h5-6H,7-8H2,1-4H3,(H,19,21)
InChIKeyPGBJWSWOSWDKCI-UHFFFAOYSA-N
MW381.69 g/mol
LogP3.40
Rot. Bonds5

About N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide (PubChem CID 9343613) has the molecular formula C15H19Cl3N2O3 and a molecular weight of 381.69 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
PubChem CID9343613
Molecular FormulaC15H19Cl3N2O3
Molecular Weight381.69 g/mol
Exact Mass380.05
IUPAC NameN-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl3N2O3/c1-15(2,3)19-13(21)7-20(4)14(22)8-23-12-6-10(17)9(16)5-11(12)18/h5-6H,7-8H2,1-4H3,(H,19,21)
InChIKeyPGBJWSWOSWDKCI-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide 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-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 60652730
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 8806201
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 43291162
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273
N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 119524297

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide (CID 9343613) is N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide?
The InChIKey is PGBJWSWOSWDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3N2O3/c1-15(2,3)19-13(21)7-20(4)14(22)8-23-12-6-10(17)9(16)5-11(12)18/h5-6H,7-8H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide has a molecular weight of 381.69 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 9343613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).