4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide

C18H22N2O5 — CID 90534141

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC1(O)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-15(19-12-18(24)7-10-25-11-8-18)6-3-9-20-16(22)13-4-1-2-5-14(13)17(20)23/h1-2,4-5,24H,3,6-12H2,(H,19,21)
InChIKeyXMNRKAGRMAGMPN-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.72
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide (PubChem CID 90534141) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
PubChem CID90534141
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC1(O)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-15(19-12-18(24)7-10-25-11-8-18)6-3-9-20-16(22)13-4-1-2-5-14(13)17(20)23/h1-2,4-5,24H,3,6-12H2,(H,19,21)
InChIKeyXMNRKAGRMAGMPN-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
CID 110292740
4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide
CID 110369813
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347790
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
2-[6-[(4-phenyloxan-4-yl)methylamino]hexyl]isoindole-1,3-dione
CID 142770382

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide (CID 90534141) is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCC1(O)CCOCC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The InChIKey is XMNRKAGRMAGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-15(19-12-18(24)7-10-25-11-8-18)6-3-9-20-16(22)13-4-1-2-5-14(13)17(20)23/h1-2,4-5,24H,3,6-12H2,(H,19,21).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide has a molecular weight of 346.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide is sourced from PubChem (CID 90534141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).