4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide

C17H28N2O2 — CID 64707886

IUPAC4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
SMILESCCC(C)c1ccccc1OC(C)CC(C)(NC)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-6-12(2)14-9-7-8-10-15(14)21-13(3)11-17(4,19-5)16(18)20/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20)
InChIKeyKPDWGZCHJVGERU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds8

About 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide

4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide (PubChem CID 64707886) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
PubChem CID64707886
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
SMILESCCC(C)c1ccccc1OC(C)CC(C)(NC)C(N)=O
InChIInChI=1S/C17H28N2O2/c1-6-12(2)14-9-7-8-10-15(14)21-13(3)11-17(4,19-5)16(18)20/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20)
InChIKeyKPDWGZCHJVGERU-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-naphthalen-1-yloxypentanamide
CID 64706246
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
2-methyl-2-(methylamino)-4-(2-phenoxyethoxy)pentanamide
CID 64707362
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide (CID 64707886) is 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide is CCC(C)c1ccccc1OC(C)CC(C)(NC)C(N)=O.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide?
The InChIKey is KPDWGZCHJVGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-12(2)14-9-7-8-10-15(14)21-13(3)11-17(4,19-5)16(18)20/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20).
What are the key properties of 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide?
4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64707886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).