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

C17H32N2O2 — CID 176612852

IUPACN-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(N(C)C)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C17H32N2O2/c1-9-17(19(7)8)15(18-13(6)20)14(10-11(2)3)21-16(17)12(4)5/h9,11-12,14-16H,1,10H2,2-8H3,(H,18,20)/t14-,15+,16+,17-/m1/s1
InChIKeyASLQRIGDTJONJK-LTIDMASMSA-N
MW296.46 g/mol
LogP2.45
Rot. Bonds6

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

N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612852) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612852
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(N(C)C)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C17H32N2O2/c1-9-17(19(7)8)15(18-13(6)20)14(10-11(2)3)21-16(17)12(4)5/h9,11-12,14-16H,1,10H2,2-8H3,(H,18,20)/t14-,15+,16+,17-/m1/s1
InChIKeyASLQRIGDTJONJK-LTIDMASMSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
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-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (CID 176612852) is N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is C=C[C@]1(N(C)C)[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-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is ASLQRIGDTJONJK-LTIDMASMSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-9-17(19(7)8)15(18-13(6)20)14(10-11(2)3)21-16(17)12(4)5/h9,11-12,14-16H,1,10H2,2-8H3,(H,18,20)/t14-,15+,16+,17-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).