methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide

C22H48N2O2 — CID 144742394

IUPACmethanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide
SMILESCC(=O)CC(C)(C)CC(C)(C)CNC(=O)C(C)(C)C(C)C.CCC.CN
InChIInChI=1S/C18H35NO2.C3H8.CH5N/c1-13(2)18(8,9)15(21)19-12-17(6,7)11-16(4,5)10-14(3)20;1-3-2;1-2/h13H,10-12H2,1-9H3,(H,19,21);3H2,1-2H3;2H2,1H3
InChIKeyZJHGWEFMSOLBOH-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.20
Rot. Bonds8

About methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide

methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide (PubChem CID 144742394) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide.

Molecular Properties

Compound Namemethanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide
PubChem CID144742394
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Namemethanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide
SMILESCC(=O)CC(C)(C)CC(C)(C)CNC(=O)C(C)(C)C(C)C.CCC.CN
InChIInChI=1S/C18H35NO2.C3H8.CH5N/c1-13(2)18(8,9)15(21)19-12-17(6,7)11-16(4,5)10-14(3)20;1-3-2;1-2/h13H,10-12H2,1-9H3,(H,19,21);3H2,1-2H3;2H2,1H3
InChIKeyZJHGWEFMSOLBOH-UHFFFAOYSA-N
XLogP5.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354
ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
CID 178061969
2,2,3-trimethyl-N-[2-methyl-2-(2-methylpropyldisulfanyl)propyl]butanamide
CID 166996204
2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide
CID 59105475
3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088
6-(1-hydroxyethoxy)-4,4,6-trimethylheptan-2-one
CID 90791737
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
4-hydrazinyl-4-methylpentan-2-one
CID 139439757
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
[2-oxo-2-(2,2,4,4,5-pentamethylhexylamino)ethoxy]methanethioic S-acid
CID 178049712
2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
CID 10168574

Frequently Asked Questions

What is the IUPAC name of methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide?
The IUPAC name of methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide (CID 144742394) is methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide.
What is the SMILES notation for methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide?
The canonical SMILES for methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide is CC(=O)CC(C)(C)CC(C)(C)CNC(=O)C(C)(C)C(C)C.CCC.CN.
What is the InChIKey of methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide?
The InChIKey is ZJHGWEFMSOLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.C3H8.CH5N/c1-13(2)18(8,9)15(21)19-12-17(6,7)11-16(4,5)10-14(3)20;1-3-2;1-2/h13H,10-12H2,1-9H3,(H,19,21);3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide?
methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide has a molecular weight of 372.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide is sourced from PubChem (CID 144742394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).