N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide

C16H31NO3 — CID 163632638

IUPACN-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide
SMILESCC(=O)NC(=O)CCOC(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(18)17-13(19)9-10-20-16(8,15(5,6)7)11-14(2,3)4/h9-11H2,1-8H3,(H,17,18,19)
InChIKeyHXLLDUCGFXXIEJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.30
Rot. Bonds5

About N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide

N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide (PubChem CID 163632638) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide
PubChem CID163632638
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide
SMILESCC(=O)NC(=O)CCOC(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(18)17-13(19)9-10-20-16(8,15(5,6)7)11-14(2,3)4/h9-11H2,1-8H3,(H,17,18,19)
InChIKeyHXLLDUCGFXXIEJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetamido-3-oxopropyl) acetate
CID 20757985
3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propylurea
CID 145418996
(3-acetamido-3-oxopropyl) acetate
CID 20760674
N-acetyl-3,3-dimethylbutanamide
CID 59565837
[3-oxo-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propyl] 2-methylprop-2-enoate
CID 89150904
2-methylbutan-2-yl 5-acetamido-5-oxopentanoate
CID 134215821
2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol
CID 138567102
(2S)-2-[3-(methylcarbamoylamino)-3-oxopropoxy]propanoic acid
CID 104876434
N-acetyl-2-chloroacetamide
CID 2366697
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol
CID 91316021
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide?
The IUPAC name of N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide (CID 163632638) is N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide.
What is the SMILES notation for N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide?
The canonical SMILES for N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide is CC(=O)NC(=O)CCOC(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide?
The InChIKey is HXLLDUCGFXXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(18)17-13(19)9-10-20-16(8,15(5,6)7)11-14(2,3)4/h9-11H2,1-8H3,(H,17,18,19).
What are the key properties of N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide?
N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide has a molecular weight of 285.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide is sourced from PubChem (CID 163632638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).