2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide

C18H24N2O3 — CID 112762971

IUPAC2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide
SMILESCCN(CC)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O3/c1-5-19(6-2)18(23)15(11-12(3)4)20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyCKVNQYHYEJUBHY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.57
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide (PubChem CID 112762971) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide
PubChem CID112762971
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide
SMILESCCN(CC)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O3/c1-5-19(6-2)18(23)15(11-12(3)4)20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyCKVNQYHYEJUBHY-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide
CID 112817708
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide
CID 16559919
(2-amino-2-oxoethyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7951869
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-2-(1,3-dioxoisoindol-2-yl)-N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 26195415
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408526
methyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methoxy-6-methylhept-2-enoate
CID 67404353
[(3S)-3-(1,3-dioxoisoindol-2-yl)-5-methyl-2-oxohexyl] acetate
CID 12031655
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
CID 7297635
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 84831473

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide (CID 112762971) is 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide is CCN(CC)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide?
The InChIKey is CKVNQYHYEJUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-19(6-2)18(23)15(11-12(3)4)20-16(21)13-9-7-8-10-14(13)17(20)22/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide has a molecular weight of 316.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide is sourced from PubChem (CID 112762971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).