N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide

C12H17NO3 — CID 99876289

IUPACN-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide
SMILESCO[C@@H](CNC(=O)C1CCC1)c1ccco1
InChIInChI=1S/C12H17NO3/c1-15-11(10-6-3-7-16-10)8-13-12(14)9-4-2-5-9/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyQQLYBINTKAXEDT-NSHDSACASA-N
MW223.27 g/mol
LogP1.88
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide

N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide (PubChem CID 99876289) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide
PubChem CID99876289
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide
SMILESCO[C@@H](CNC(=O)C1CCC1)c1ccco1
InChIInChI=1S/C12H17NO3/c1-15-11(10-6-3-7-16-10)8-13-12(14)9-4-2-5-9/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyQQLYBINTKAXEDT-NSHDSACASA-N
XLogP1.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide (CID 99876289) is N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide is CO[C@@H](CNC(=O)C1CCC1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide?
The InChIKey is QQLYBINTKAXEDT-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11(10-6-3-7-16-10)8-13-12(14)9-4-2-5-9/h3,6-7,9,11H,2,4-5,8H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide?
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]cyclobutanecarboxamide is sourced from PubChem (CID 99876289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).