N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide

C13H25NO3 — CID 66181259

IUPACN-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1CCCOC1
InChIInChI=1S/C13H25NO3/c1-10(2)7-13(3,16)9-14-12(15)11-5-4-6-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyIQBOSUVBMPAJKE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide (PubChem CID 66181259) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
PubChem CID66181259
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1CCCOC1
InChIInChI=1S/C13H25NO3/c1-10(2)7-13(3,16)9-14-12(15)11-5-4-6-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyIQBOSUVBMPAJKE-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 66174277
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide (CID 66181259) is N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide is CC(C)CC(C)(O)CNC(=O)C1CCCOC1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide?
The InChIKey is IQBOSUVBMPAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)7-13(3,16)9-14-12(15)11-5-4-6-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide is sourced from PubChem (CID 66181259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).