N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide

C16H25NO3 — CID 71985031

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2(C)CCCC2)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-9-13(12(2)20-11)16(4,19)10-17-14(18)15(3)7-5-6-8-15/h9,19H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyBICYIMZGFVJXEG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 71985031) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
PubChem CID71985031
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2(C)CCCC2)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-9-13(12(2)20-11)16(4,19)10-17-14(18)15(3)7-5-6-8-15/h9,19H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyBICYIMZGFVJXEG-UHFFFAOYSA-N
XLogP2.80
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide (CID 71985031) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide is Cc1cc(C(C)(O)CNC(=O)C2(C)CCCC2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is BICYIMZGFVJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-9-13(12(2)20-11)16(4,19)10-17-14(18)15(3)7-5-6-8-15/h9,19H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 71985031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).