N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide

C15H27NO3 — CID 170417540

IUPACN-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)C1COC(NC(=O)C2(C(C)C)CCC2)C1O
InChIInChI=1S/C15H27NO3/c1-9(2)11-8-19-13(12(11)17)16-14(18)15(10(3)4)6-5-7-15/h9-13,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyJDMVAUVASIEGMF-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.92
Rot. Bonds4

About N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide

N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 170417540) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide
PubChem CID170417540
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)C1COC(NC(=O)C2(C(C)C)CCC2)C1O
InChIInChI=1S/C15H27NO3/c1-9(2)11-8-19-13(12(11)17)16-14(18)15(10(3)4)6-5-7-15/h9-13,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyJDMVAUVASIEGMF-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide (CID 170417540) is N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide is CC(C)C1COC(NC(=O)C2(C(C)C)CCC2)C1O.
What is the InChIKey of N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is JDMVAUVASIEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-9(2)11-8-19-13(12(11)17)16-14(18)15(10(3)4)6-5-7-15/h9-13,17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 170417540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).