2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide

C17H35NO3 — CID 144786289

IUPAC2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
SMILESCC(C)C(=O)NCCC(C)(C)OCC(C)(C)OC(C)(C)C
InChIInChI=1S/C17H35NO3/c1-13(2)14(19)18-11-10-16(6,7)20-12-17(8,9)21-15(3,4)5/h13H,10-12H2,1-9H3,(H,18,19)
InChIKeyDAPRZEHYLDBKQI-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.54
Rot. Bonds8

About 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide

2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide (PubChem CID 144786289) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
PubChem CID144786289
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
SMILESCC(C)C(=O)NCCC(C)(C)OCC(C)(C)OC(C)(C)C
InChIInChI=1S/C17H35NO3/c1-13(2)14(19)18-11-10-16(6,7)20-12-17(8,9)21-15(3,4)5/h13H,10-12H2,1-9H3,(H,18,19)
InChIKeyDAPRZEHYLDBKQI-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
CID 174323888
tert-butyl N-[3-(3-bromobutoxy)-3-methylbutyl]carbamate
CID 167168575
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
5-[[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]amino]-2-(2-methylpropanoylamino)-5-oxopentanoic acid
CID 155574337
3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium
CID 169190577
N-(aminomethyl)-2-methylpropanamide
CID 88582106
2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
CID 126626622
N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
CID 177228227
N-(3-iodobutyl)-2-methylpropanamide
CID 139362992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide (CID 144786289) is 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide is CC(C)C(=O)NCCC(C)(C)OCC(C)(C)OC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide?
The InChIKey is DAPRZEHYLDBKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-13(2)14(19)18-11-10-16(6,7)20-12-17(8,9)21-15(3,4)5/h13H,10-12H2,1-9H3,(H,18,19).
What are the key properties of 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide?
2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide has a molecular weight of 301.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide is sourced from PubChem (CID 144786289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).