N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide

C13H25NO3 — CID 102677242

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)CC(C)(C)C)CO1
InChIInChI=1S/C13H25NO3/c1-9-5-10(8-17-9)12(16)14-7-11(15)6-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyBHOFNMYWVAWAAQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.32
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide (PubChem CID 102677242) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
PubChem CID102677242
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)CC(C)(C)C)CO1
InChIInChI=1S/C13H25NO3/c1-9-5-10(8-17-9)12(16)14-7-11(15)6-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyBHOFNMYWVAWAAQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
cis-(1S,3R)-3-[(2-hydroxy-4,4-dimethylpentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093202
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114826272
(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide
CID 103850233
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 103153048
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
CID 114826466

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide (CID 102677242) is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCC(O)CC(C)(C)C)CO1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide?
The InChIKey is BHOFNMYWVAWAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9-5-10(8-17-9)12(16)14-7-11(15)6-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102677242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).