2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide

C18H30NOP — CID 23405277

IUPAC2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30NOP/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8/h9-11H,12H2,1-8H3,(H,19,20)
InChIKeyDJFJCNKSPFMZLE-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.32
Rot. Bonds3

About 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide

2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 23405277) has the molecular formula C18H30NOP and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID23405277
Molecular FormulaC18H30NOP
Molecular Weight307.42 g/mol
Exact Mass307.21
IUPAC Name2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30NOP/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8/h9-11H,12H2,1-8H3,(H,19,20)
InChIKeyDJFJCNKSPFMZLE-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)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

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
4-(2,6-dimethylanilino)-2-methylidene-4-oxobutanoic acid
CID 14449100
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178

Frequently Asked Questions

What is the IUPAC name of 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide (CID 23405277) is 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DJFJCNKSPFMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NOP/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8/h9-11H,12H2,1-8H3,(H,19,20).
What are the key properties of 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide?
2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 23405277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).