N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide

C14H15N3O5 — CID 89174603

IUPACN-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide
SMILESCCC(O)C(=O)NC(=O)CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H15N3O5/c1-2-9(18)12(20)16-10(19)6-17-13(21)7-4-3-5-8(15)11(7)14(17)22/h3-5,9,18H,2,6,15H2,1H3,(H,16,19,20)
InChIKeyKGIWHYRTQGRTDK-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.72
Rot. Bonds4

About N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide

N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide (PubChem CID 89174603) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide
PubChem CID89174603
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide
SMILESCCC(O)C(=O)NC(=O)CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H15N3O5/c1-2-9(18)12(20)16-10(19)6-17-13(21)7-4-3-5-8(15)11(7)14(17)22/h3-5,9,18H,2,6,15H2,1H3,(H,16,19,20)
InChIKeyKGIWHYRTQGRTDK-UHFFFAOYSA-N
XLogP-0.72
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide?
The IUPAC name of N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide (CID 89174603) is N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide.
What is the SMILES notation for N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide?
The canonical SMILES for N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide is CCC(O)C(=O)NC(=O)CN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide?
The InChIKey is KGIWHYRTQGRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-9(18)12(20)16-10(19)6-17-13(21)7-4-3-5-8(15)11(7)14(17)22/h3-5,9,18H,2,6,15H2,1H3,(H,16,19,20).
What are the key properties of N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide?
N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide has a molecular weight of 305.29 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide is sourced from PubChem (CID 89174603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).