N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide

C14H14N2O5 — CID 170244907

IUPACN-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C14H14N2O5/c1-8(5-6-11(19)15-7-17)16-13(20)9-3-2-4-10(18)12(9)14(16)21/h2-4,7-8,18H,5-6H2,1H3,(H,15,17,19)
InChIKeySOFKKKNABMQDFB-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.43
Rot. Bonds5

About N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide

N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide (PubChem CID 170244907) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
PubChem CID170244907
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C14H14N2O5/c1-8(5-6-11(19)15-7-17)16-13(20)9-3-2-4-10(18)12(9)14(16)21/h2-4,7-8,18H,5-6H2,1H3,(H,15,17,19)
InChIKeySOFKKKNABMQDFB-UHFFFAOYSA-N
XLogP0.43
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminobutoxy)-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;propane
CID 145256251
4-(4-hydroxy-1,3-dioxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 155715420
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
CID 154684223
4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
CID 155057033
4-[4-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;buta-1,3-diene;ethane
CID 145382150
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
4-[4-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;buta-1,3-diene
CID 145256263
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
CID 167469919
N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 154684406
4-(1,3-dioxo-4-sulfanylisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 154689661
[1-[2-(5-formamido-5-oxopentan-2-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]cyclopropyl] formate
CID 155207775
[1-(5-formamido-5-oxopentan-2-yl)-2-oxobenzo[cd]indol-4-yl] trifluoromethanesulfonate
CID 163258938

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide?
The IUPAC name of N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide (CID 170244907) is N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide.
What is the SMILES notation for N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide?
The canonical SMILES for N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide is CC(CCC(=O)NC=O)N1C(=O)c2cccc(O)c2C1=O.
What is the InChIKey of N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide?
The InChIKey is SOFKKKNABMQDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8(5-6-11(19)15-7-17)16-13(20)9-3-2-4-10(18)12(9)14(16)21/h2-4,7-8,18H,5-6H2,1H3,(H,15,17,19).
What are the key properties of N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide?
N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide has a molecular weight of 290.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide is sourced from PubChem (CID 170244907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).