2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol

C22H47NO4 — CID 166130929

IUPAC2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NCCO.CC(C)C(C)C.CC(C)CO
InChIInChI=1S/C12H23NO3.C6H14.C4H10O/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14;1-5(2)6(3)4;1-4(2)3-5/h14H,6-8H2,1-5H3,(H,13,16);5-6H,1-4H3;4-5H,3H2,1-2H3
InChIKeySCFMFEZKCIUCDY-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.06
Rot. Bonds8

About 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol

2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol (PubChem CID 166130929) has the molecular formula C22H47NO4 and a molecular weight of 389.62 g/mol. Its IUPAC name is 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol.

Molecular Properties

Compound Name2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
PubChem CID166130929
Molecular FormulaC22H47NO4
Molecular Weight389.62 g/mol
Exact Mass389.35
IUPAC Name2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NCCO.CC(C)C(C)C.CC(C)CO
InChIInChI=1S/C12H23NO3.C6H14.C4H10O/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14;1-5(2)6(3)4;1-4(2)3-5/h14H,6-8H2,1-5H3,(H,13,16);5-6H,1-4H3;4-5H,3H2,1-2H3
InChIKeySCFMFEZKCIUCDY-UHFFFAOYSA-N
XLogP4.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane
CID 178050067
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
2-ethyl-2,4,4-trimethyl-N-[2-[2-(methylamino)ethylamino]ethyl]-5-oxohexanamide
CID 118900851
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
CID 134337619
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol?
The IUPAC name of 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol (CID 166130929) is 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol.
What is the SMILES notation for 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol?
The canonical SMILES for 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol is CC(=O)C(C)(C)CC(C)(C)C(=O)NCCO.CC(C)C(C)C.CC(C)CO.
What is the InChIKey of 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol?
The InChIKey is SCFMFEZKCIUCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C6H14.C4H10O/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14;1-5(2)6(3)4;1-4(2)3-5/h14H,6-8H2,1-5H3,(H,13,16);5-6H,1-4H3;4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol?
2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol has a molecular weight of 389.62 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol is sourced from PubChem (CID 166130929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).