N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide

C12H25NO3 — CID 142467765

IUPACN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)(C)O
InChIInChI=1S/C12H25NO3/c1-10(14)13-8-6-12(4,5)16-9-7-11(2,3)15/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyDUJCMOPILJLMKA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide

N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide (PubChem CID 142467765) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
PubChem CID142467765
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)(C)O
InChIInChI=1S/C12H25NO3/c1-10(14)13-8-6-12(4,5)16-9-7-11(2,3)15/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyDUJCMOPILJLMKA-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
2-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]propanediamide
CID 130456654
N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
CID 144596587
N-[3-[2-(4-acetamido-2-methylbutan-2-yl)oxyethoxy]-3-methylbutyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 123401479
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
3-(3-acetyl-4-ethenylphenyl)-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]propanamide
CID 90864886
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide?
The IUPAC name of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide (CID 142467765) is N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide.
What is the SMILES notation for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide?
The canonical SMILES for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide is CC(=O)NCCC(C)(C)OCCC(C)(C)O.
What is the InChIKey of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide?
The InChIKey is DUJCMOPILJLMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(14)13-8-6-12(4,5)16-9-7-11(2,3)15/h15H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide?
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide has a molecular weight of 231.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide is sourced from PubChem (CID 142467765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).