N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide

C12H23NO3 — CID 84578784

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2,9-14)13-11(15)4-3-10-5-7-16-8-6-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyYQUSNBAETLJLRQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 84578784) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID84578784
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-12(2,9-14)13-11(15)4-3-10-5-7-16-8-6-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyYQUSNBAETLJLRQ-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-hydroxy-2-methylpropan-2-yl)cyclohexanecarboxamide
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2-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)hexanamide
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N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
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CID 62517304
N-[1-(hydroxymethyl)cyclopentyl]-2-methylpentanamide
CID 62517833
N-[1-(hydroxymethyl)cyclopentyl]-2-methylpropanamide
CID 62519591
N-[1-(hydroxymethyl)cyclohexyl]-2-methylpentanamide
CID 62521452
N-[1-(hydroxymethyl)cyclopentyl]-4-methylcyclohexane-1-carboxamide
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N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-ethylhexanamide
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CID 103954342

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide (CID 84578784) is N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide is CC(C)(CO)NC(=O)CCC1CCOCC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is YQUSNBAETLJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,9-14)13-11(15)4-3-10-5-7-16-8-6-10/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 84578784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).