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

C19H24N2O5 — CID 110369813

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide
SMILESCC1(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)OCCCO1
InChIInChI=1S/C19H24N2O5/c1-19(25-12-5-13-26-19)9-10-20-16(22)8-4-11-21-17(23)14-6-2-3-7-15(14)18(21)24/h2-3,6-7H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyMMZLPGSUOOMWRM-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.72
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide (PubChem CID 110369813) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide
PubChem CID110369813
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide
SMILESCC1(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)OCCCO1
InChIInChI=1S/C19H24N2O5/c1-19(25-12-5-13-26-19)9-10-20-16(22)8-4-11-21-17(23)14-6-2-3-7-15(14)18(21)24/h2-3,6-7H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyMMZLPGSUOOMWRM-UHFFFAOYSA-N
XLogP1.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110359311
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
4-(1,3-dioxoisoindol-2-yl)-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
CID 90534141
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 121120898

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide (CID 110369813) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide is CC1(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)OCCCO1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide?
The InChIKey is MMZLPGSUOOMWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(25-12-5-13-26-19)9-10-20-16(22)8-4-11-21-17(23)14-6-2-3-7-15(14)18(21)24/h2-3,6-7H,4-5,8-13H2,1H3,(H,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide has a molecular weight of 360.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide is sourced from PubChem (CID 110369813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).