3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide

C18H22N2O5 — CID 110292740

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCC1(CO)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-12-18(6-9-25-10-7-18)11-19-15(22)5-8-20-16(23)13-3-1-2-4-14(13)17(20)24/h1-4,21H,5-12H2,(H,19,22)
InChIKeyRTEOYHQFQSMOTB-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.58
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide (PubChem CID 110292740) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
PubChem CID110292740
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCC1(CO)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-12-18(6-9-25-10-7-18)11-19-15(22)5-8-20-16(23)13-3-1-2-4-14(13)17(20)24/h1-4,21H,5-12H2,(H,19,22)
InChIKeyRTEOYHQFQSMOTB-UHFFFAOYSA-N
XLogP0.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
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 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide (CID 110292740) is 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCC1(CO)CCOCC1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide?
The InChIKey is RTEOYHQFQSMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-12-18(6-9-25-10-7-18)11-19-15(22)5-8-20-16(23)13-3-1-2-4-14(13)17(20)24/h1-4,21H,5-12H2,(H,19,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide has a molecular weight of 346.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 110292740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).