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

C22H45NO2 — CID 170094257

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

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

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Related Compounds

2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
CID 123857190
1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
CID 170705000
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
2-amino-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 139298143
4-(2,3-dimethylbutan-2-yloxy)-2-methyl-N-propan-2-ylbutan-2-amine
CID 170223007
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
CID 143288493
2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
CID 170010587
ethane;2-hydroxy-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide;1-methoxy-3-methylbutane;3-methylbutan-1-ol
CID 142464554
2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid
CID 165399193
silyl 2,2,4,4,5-pentamethylhexanoate
CID 173390543

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).