N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide

C13H23NO5 — CID 10802216

IUPACN-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](NC(C)=O)C(OC)OC
InChIInChI=1S/C13H23NO5/c1-7-9-11(19-13(3,4)18-9)10(14-8(2)15)12(16-5)17-6/h7,9-12H,1H2,2-6H3,(H,14,15)/t9-,10-,11+/m1/s1
InChIKeyPVPCOMHUORUBEA-MXWKQRLJSA-N
MW273.33 g/mol
LogP0.82
Rot. Bonds6

About N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide

N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide (PubChem CID 10802216) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide
PubChem CID10802216
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC NameN-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](NC(C)=O)C(OC)OC
InChIInChI=1S/C13H23NO5/c1-7-9-11(19-13(3,4)18-9)10(14-8(2)15)12(16-5)17-6/h7,9-12H,1H2,2-6H3,(H,14,15)/t9-,10-,11+/m1/s1
InChIKeyPVPCOMHUORUBEA-MXWKQRLJSA-N
XLogP0.82
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide?
The IUPAC name of N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide (CID 10802216) is N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](NC(C)=O)C(OC)OC.
What is the InChIKey of N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide?
The InChIKey is PVPCOMHUORUBEA-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H23NO5/c1-7-9-11(19-13(3,4)18-9)10(14-8(2)15)12(16-5)17-6/h7,9-12H,1H2,2-6H3,(H,14,15)/t9-,10-,11+/m1/s1.
What are the key properties of N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide?
N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide has a molecular weight of 273.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide is sourced from PubChem (CID 10802216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).