N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C16H18N2O5 — CID 71801590

IUPACN-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(CC1COCCO1)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
InChIKeyJNMPITCBYZYDMN-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.16
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 71801590) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID71801590
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(CC1COCCO1)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
InChIKeyJNMPITCBYZYDMN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 71801590) is N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(CC1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is JNMPITCBYZYDMN-UHFFFAOYSA-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.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-(1,4-dioxan-2-ylmethyl)-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-(1,4-dioxan-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 71801590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).