N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide

C17H27NO — CID 115191413

IUPACN-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H27NO/c1-12-8-9-14(16(3,4)5)10-15(12)17(6,7)11-18-13(2)19/h8-10H,11H2,1-7H3,(H,18,19)
InChIKeyJQCXIYZQMOPKBV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds3

About N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide

N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide (PubChem CID 115191413) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
PubChem CID115191413
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H27NO/c1-12-8-9-14(16(3,4)5)10-15(12)17(6,7)11-18-13(2)19/h8-10H,11H2,1-7H3,(H,18,19)
InChIKeyJQCXIYZQMOPKBV-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
4-(5-tert-butyl-2-methylphenyl)-4-methylpentan-2-one
CID 82086313
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
2-[[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131487
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide (CID 115191413) is N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide?
The InChIKey is JQCXIYZQMOPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-9-14(16(3,4)5)10-15(12)17(6,7)11-18-13(2)19/h8-10H,11H2,1-7H3,(H,18,19).
What are the key properties of N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide?
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide has a molecular weight of 261.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115191413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).