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4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide

C22H45NO2 — CID 170094257

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)C(C)C
InChIInChI=1S/C22H45NO2/c1-16(2)20(7,8)15-21(9,10)23-18(24)19(5,6)13-14-25-22(11,12)17(3)4/h16-17H,13-15H2,1-12H3,(H,23,24)
InChIKeyPBGQJOFYMJUINT-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.82
Rot. Bonds10

About 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide

4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide (PubChem CID 170094257) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
PubChem CID170094257
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
SMILESCC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)C(C)C
InChIInChI=1S/C22H45NO2/c1-16(2)20(7,8)15-21(9,10)23-18(24)19(5,6)13-14-25-22(11,12)17(3)4/h16-17H,13-15H2,1-12H3,(H,23,24)
InChIKeyPBGQJOFYMJUINT-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide?
The IUPAC name of 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide (CID 170094257) is 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide is CC(C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)C(C)C.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide?
The InChIKey is PBGQJOFYMJUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-16(2)20(7,8)15-21(9,10)23-18(24)19(5,6)13-14-25-22(11,12)17(3)4/h16-17H,13-15H2,1-12H3,(H,23,24).
What are the key properties of 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide?
4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide has a molecular weight of 355.61 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide is sourced from PubChem (CID 170094257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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