2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide

C20H32N2O2 — CID 113178588

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H32N2O2/c1-13(2)16-10-9-11-17(14(3)4)19(16)22(15(5)23)12-18(24)21-20(6,7)8/h9-11,13-14H,12H2,1-8H3,(H,21,24)
InChIKeyNXHLYOLZOJYREM-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.20
Rot. Bonds5

About 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide (PubChem CID 113178588) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
PubChem CID113178588
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H32N2O2/c1-13(2)16-10-9-11-17(14(3)4)19(16)22(15(5)23)12-18(24)21-20(6,7)8/h9-11,13-14H,12H2,1-8H3,(H,21,24)
InChIKeyNXHLYOLZOJYREM-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
CID 113178595
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide (CID 113178588) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide?
The InChIKey is NXHLYOLZOJYREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(2)16-10-9-11-17(14(3)4)19(16)22(15(5)23)12-18(24)21-20(6,7)8/h9-11,13-14H,12H2,1-8H3,(H,21,24).
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide has a molecular weight of 332.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide is sourced from PubChem (CID 113178588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).