N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide

C14H27NO3 — CID 110021539

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)C(C)CO)CCO1
InChIInChI=1S/C14H27NO3/c1-4-5-13-8-12(6-7-18-13)14(17)15-11(3)10(2)9-16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGBFAVXHZJATPPG-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.71
Rot. Bonds6

About N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide (PubChem CID 110021539) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide
PubChem CID110021539
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)C(C)CO)CCO1
InChIInChI=1S/C14H27NO3/c1-4-5-13-8-12(6-7-18-13)14(17)15-11(3)10(2)9-16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGBFAVXHZJATPPG-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide (CID 110021539) is N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide is CCCC1CC(C(=O)NC(C)C(C)CO)CCO1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide?
The InChIKey is GBFAVXHZJATPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-13-8-12(6-7-18-13)14(17)15-11(3)10(2)9-16/h10-13,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide has a molecular weight of 257.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide is sourced from PubChem (CID 110021539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).