N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

C17H30N2O3 — CID 176612838

IUPACN-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(NC(C)=O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C17H30N2O3/c1-8-17(19-13(7)21)15(18-12(6)20)14(9-10(2)3)22-16(17)11(4)5/h8,10-11,14-16H,1,9H2,2-7H3,(H,18,20)(H,19,21)/t14-,15+,16+,17-/m1/s1
InChIKeyOMSRNOFNYNUPMG-LTIDMASMSA-N
MW310.44 g/mol
LogP2.02
Rot. Bonds6

About N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612838) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612838
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(NC(C)=O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C17H30N2O3/c1-8-17(19-13(7)21)15(18-12(6)20)14(9-10(2)3)22-16(17)11(4)5/h8,10-11,14-16H,1,9H2,2-7H3,(H,18,20)(H,19,21)/t14-,15+,16+,17-/m1/s1
InChIKeyOMSRNOFNYNUPMG-LTIDMASMSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (CID 176612838) is N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is C=C[C@]1(NC(C)=O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is OMSRNOFNYNUPMG-LTIDMASMSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-8-17(19-13(7)21)15(18-12(6)20)14(9-10(2)3)22-16(17)11(4)5/h8,10-11,14-16H,1,9H2,2-7H3,(H,18,20)(H,19,21)/t14-,15+,16+,17-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).