N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide

C15H27NO3 — CID 102866892

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCCO)C2CCC2)C1C
InChIInChI=1S/C15H27NO3/c1-10-11(2)19-12(3)14(10)15(18)16(8-5-9-17)13-6-4-7-13/h10-14,17H,4-9H2,1-3H3
InChIKeyKHRHECAGEZJYGD-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 102866892) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID102866892
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCCO)C2CCC2)C1C
InChIInChI=1S/C15H27NO3/c1-10-11(2)19-12(3)14(10)15(18)16(8-5-9-17)13-6-4-7-13/h10-14,17H,4-9H2,1-3H3
InChIKeyKHRHECAGEZJYGD-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 102866892) is N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCCO)C2CCC2)C1C.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is KHRHECAGEZJYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-11(2)19-12(3)14(10)15(18)16(8-5-9-17)13-6-4-7-13/h10-14,17H,4-9H2,1-3H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 102866892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).