N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide

C18H36N2O3 — CID 170359734

IUPACN-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)CN(C)CC(C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)18(6,7)17(22)15(5)10-19(8)12-20(9)16(21)11-23-14(3)4/h13-15H,10-12H2,1-9H3
InChIKeyJCLWLNFJDIDWSE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.65
Rot. Bonds10

About N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide

N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide (PubChem CID 170359734) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide
PubChem CID170359734
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC NameN-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)CN(C)CC(C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)18(6,7)17(22)15(5)10-19(8)12-20(9)16(21)11-23-14(3)4/h13-15H,10-12H2,1-9H3
InChIKeyJCLWLNFJDIDWSE-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119655780
N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604028
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-(azetidin-3-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 112603470
4-amino-1-propan-2-yloxypentan-2-one
CID 116555847

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide (CID 170359734) is N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(C)CN(C)CC(C)C(=O)C(C)(C)C(C)C.
What is the InChIKey of N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide?
The InChIKey is JCLWLNFJDIDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-13(2)18(6,7)17(22)15(5)10-19(8)12-20(9)16(21)11-23-14(3)4/h13-15H,10-12H2,1-9H3.
What are the key properties of N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide?
N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide has a molecular weight of 328.50 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[methyl-(2,4,4,5-tetramethyl-3-oxohexyl)amino]methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 170359734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).