2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide

C21H41NO — CID 167287985

IUPAC2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)NC1(C)CC(C)(C(C)C)C1C
InChIInChI=1S/C21H41NO/c1-14(2)18(6,7)12-19(8,9)17(23)22-21(11)13-20(10,15(3)4)16(21)5/h14-16H,12-13H2,1-11H3,(H,22,23)
InChIKeyJZQIYXLVUCPLIK-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.66
Rot. Bonds6

About 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide

2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide (PubChem CID 167287985) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide.

Molecular Properties

Compound Name2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide
PubChem CID167287985
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)NC1(C)CC(C)(C(C)C)C1C
InChIInChI=1S/C21H41NO/c1-14(2)18(6,7)12-19(8,9)17(23)22-21(11)13-20(10,15(3)4)16(21)5/h14-16H,12-13H2,1-11H3,(H,22,23)
InChIKeyJZQIYXLVUCPLIK-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
CID 123857190
silyl 2,2,4,4,5-pentamethylhexanoate
CID 173390543
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
3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 174018973
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
(5R)-5-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,2,4,4-tetramethylhexanoic acid
CID 174153145
4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
CID 170094257
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
2-amino-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 139298143
2-[[3,7-dimethyl-1-[2,4,4-trimethyl-2-(methylamino)pentanoyl]oxy-3-bicyclo[3.3.1]nonanyl]oxy]propanoic acid
CID 144518001
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
CID 158894957

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide?
The IUPAC name of 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide (CID 167287985) is 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide.
What is the SMILES notation for 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide?
The canonical SMILES for 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide is CC(C)C(C)(C)CC(C)(C)C(=O)NC1(C)CC(C)(C(C)C)C1C.
What is the InChIKey of 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide?
The InChIKey is JZQIYXLVUCPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-14(2)18(6,7)12-19(8,9)17(23)22-21(11)13-20(10,15(3)4)16(21)5/h14-16H,12-13H2,1-11H3,(H,22,23).
What are the key properties of 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide?
2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide has a molecular weight of 323.57 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5-pentamethyl-N-(1,2,3-trimethyl-3-propan-2-ylcyclobutyl)hexanamide is sourced from PubChem (CID 167287985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).