N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H25NO3 — CID 79209647

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCC2(O)CCOCC2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-12(2)10(13(12,3)4)11(16)15-9-14(17)5-7-18-8-6-14/h10,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyXWMMASITQNEVKK-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.33
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 79209647) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID79209647
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCC2(O)CCOCC2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-12(2)10(13(12,3)4)11(16)15-9-14(17)5-7-18-8-6-14/h10,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyXWMMASITQNEVKK-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 79209647) is N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCC2(O)CCOCC2)C1(C)C.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is XWMMASITQNEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2)10(13(12,3)4)11(16)15-9-14(17)5-7-18-8-6-14/h10,17H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 79209647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).