2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide

C18H28N2O2 — CID 113170550

IUPAC2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)11-19-17(22)12-20(14(3)21)16-9-7-15(8-10-16)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22)
InChIKeyKKRWJQVTJLJONK-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds5

About 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide

2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 113170550) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
PubChem CID113170550
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)11-19-17(22)12-20(14(3)21)16-9-7-15(8-10-16)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22)
InChIKeyKKRWJQVTJLJONK-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
2-(N-acetyl-3,5-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113168434
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)acetamide
CID 113177196
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
CID 113169744

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide (CID 113170550) is 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide is CC(=O)N(CC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is KKRWJQVTJLJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)11-19-17(22)12-20(14(3)21)16-9-7-15(8-10-16)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22).
What are the key properties of 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide?
2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).