N-(2,4-ditert-butylphenyl)-N-methylacetamide

C17H27NO — CID 517590

IUPACN-(2,4-ditert-butylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12(19)18(8)15-10-9-13(16(2,3)4)11-14(15)17(5,6)7/h9-11H,1-8H3
InChIKeyAYGAAGMCZHPNQB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.26
Rot. Bonds1

About N-(2,4-ditert-butylphenyl)-N-methylacetamide

N-(2,4-ditert-butylphenyl)-N-methylacetamide (PubChem CID 517590) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,4-ditert-butylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,4-ditert-butylphenyl)-N-methylacetamide
PubChem CID517590
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,4-ditert-butylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12(19)18(8)15-10-9-13(16(2,3)4)11-14(15)17(5,6)7/h9-11H,1-8H3
InChIKeyAYGAAGMCZHPNQB-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butylphenyl)-N-methylacetamide?
The IUPAC name of N-(2,4-ditert-butylphenyl)-N-methylacetamide (CID 517590) is N-(2,4-ditert-butylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,4-ditert-butylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2,4-ditert-butylphenyl)-N-methylacetamide is CC(=O)N(C)c1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-(2,4-ditert-butylphenyl)-N-methylacetamide?
The InChIKey is AYGAAGMCZHPNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(19)18(8)15-10-9-13(16(2,3)4)11-14(15)17(5,6)7/h9-11H,1-8H3.
What are the key properties of N-(2,4-ditert-butylphenyl)-N-methylacetamide?
N-(2,4-ditert-butylphenyl)-N-methylacetamide has a molecular weight of 261.41 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butylphenyl)-N-methylacetamide is sourced from PubChem (CID 517590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).