N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide

C13H19NO4 — CID 164638355

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H19NO4/c1-8-6-10(9(2)18-8)13(15)14-11-4-5-17-7-12(11)16-3/h6,11-12H,4-5,7H2,1-3H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyPLUPAVMJNNJDDC-RYUDHWBXSA-N
MW253.30 g/mol
LogP1.43
Rot. Bonds3

About N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 164638355) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID164638355
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H19NO4/c1-8-6-10(9(2)18-8)13(15)14-11-4-5-17-7-12(11)16-3/h6,11-12H,4-5,7H2,1-3H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyPLUPAVMJNNJDDC-RYUDHWBXSA-N
XLogP1.43
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 164638355) is N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide is CO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PLUPAVMJNNJDDC-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-6-10(9(2)18-8)13(15)14-11-4-5-17-7-12(11)16-3/h6,11-12H,4-5,7H2,1-3H3,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 164638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).