N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C16H18N2O5 — CID 97041010

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C[C@@H]1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O5/c1-17(8-11-10-22-6-7-23-11)14(19)9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyJNMPITCBYZYDMN-LLVKDONJSA-N
MW318.33 g/mol
LogP0.16
Rot. Bonds4

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 97041010) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID97041010
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C[C@@H]1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O5/c1-17(8-11-10-22-6-7-23-11)14(19)9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyJNMPITCBYZYDMN-LLVKDONJSA-N
XLogP0.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
CID 86286846
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide
CID 99971759
1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 29115615
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 17414825
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylacetamide
CID 26332977
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-N-methylbenzamide
CID 86287110
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 97041010) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(C[C@@H]1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is JNMPITCBYZYDMN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-17(8-11-10-22-6-7-23-11)14(19)9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-5,11H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 318.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 97041010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).