4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide

C17H20N2O4 — CID 154684223

IUPAC4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
SMILESCC(C)c1ccc2c(c1)C(=O)N(C(C)CCC(=O)NC=O)C2=O
InChIInChI=1S/C17H20N2O4/c1-10(2)12-5-6-13-14(8-12)17(23)19(16(13)22)11(3)4-7-15(21)18-9-20/h5-6,8-11H,4,7H2,1-3H3,(H,18,20,21)
InChIKeyCWUIFTJFAUSZKT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.85
Rot. Bonds6

About 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide

4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide (PubChem CID 154684223) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide.

Molecular Properties

Compound Name4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
PubChem CID154684223
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
SMILESCC(C)c1ccc2c(c1)C(=O)N(C(C)CCC(=O)NC=O)C2=O
InChIInChI=1S/C17H20N2O4/c1-10(2)12-5-6-13-14(8-12)17(23)19(16(13)22)11(3)4-7-15(21)18-9-20/h5-6,8-11H,4,7H2,1-3H3,(H,18,20,21)
InChIKeyCWUIFTJFAUSZKT-UHFFFAOYSA-N
XLogP1.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Isopropylphthalimide
CID 67535
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Cc-11006
CID 10155135
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380
L 693593
CID 65001
3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]-amino}-propionic acid
CID 9885190
3-Oxo-2-Piperidin-4-Yl-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 24937836
CID 49843530
CID 49843530
(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
CID 49873226
2-(4-Diethylamino-but-2-ynyl)-isoindole-1,3-dione
CID 44385509
2-(3-Oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 2833078
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide?
The IUPAC name of 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide (CID 154684223) is 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide.
What is the SMILES notation for 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide?
The canonical SMILES for 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide is CC(C)c1ccc2c(c1)C(=O)N(C(C)CCC(=O)NC=O)C2=O.
What is the InChIKey of 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide?
The InChIKey is CWUIFTJFAUSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(2)12-5-6-13-14(8-12)17(23)19(16(13)22)11(3)4-7-15(21)18-9-20/h5-6,8-11H,4,7H2,1-3H3,(H,18,20,21).
What are the key properties of 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide?
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide has a molecular weight of 316.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide is sourced from PubChem (CID 154684223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).