N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide

C23H24N2O4 — CID 110632886

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H24N2O4/c26-21(15-18-5-3-4-14-29-18)24-17-10-8-16(9-11-17)12-13-25-22(27)19-6-1-2-7-20(19)23(25)28/h1-2,6-11,18H,3-5,12-15H2,(H,24,26)
InChIKeyNKPKLZNWJPKYMH-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide (PubChem CID 110632886) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
PubChem CID110632886
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H24N2O4/c26-21(15-18-5-3-4-14-29-18)24-17-10-8-16(9-11-17)12-13-25-22(27)19-6-1-2-7-20(19)23(25)28/h1-2,6-11,18H,3-5,12-15H2,(H,24,26)
InChIKeyNKPKLZNWJPKYMH-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-phenylethylsulfanyl)acetamide
CID 17362378
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110605644
2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
CID 19817535

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide (CID 110632886) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide?
The InChIKey is NKPKLZNWJPKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(15-18-5-3-4-14-29-18)24-17-10-8-16(9-11-17)12-13-25-22(27)19-6-1-2-7-20(19)23(25)28/h1-2,6-11,18H,3-5,12-15H2,(H,24,26).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide has a molecular weight of 392.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110632886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).