N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide

C13H13N3O4 — CID 56766373

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
SMILESO=CNNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13N3O4/c17-8-14-15-11(18)6-3-7-16-12(19)9-4-1-2-5-10(9)13(16)20/h1-2,4-5,8H,3,6-7H2,(H,14,17)(H,15,18)
InChIKeyQEKGGZXREUYMOO-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.16
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide

N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide (PubChem CID 56766373) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
PubChem CID56766373
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
SMILESO=CNNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13N3O4/c17-8-14-15-11(18)6-3-7-16-12(19)9-4-1-2-5-10(9)13(16)20/h1-2,4-5,8H,3,6-7H2,(H,14,17)(H,15,18)
InChIKeyQEKGGZXREUYMOO-UHFFFAOYSA-N
XLogP-0.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
N'-[2-(4-cyanophenoxy)acetyl]-4-(1,3-dioxoisoindol-2-yl)butanehydrazide
CID 2372181
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide (CID 56766373) is N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide is O=CNNC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide?
The InChIKey is QEKGGZXREUYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-8-14-15-11(18)6-3-7-16-12(19)9-4-1-2-5-10(9)13(16)20/h1-2,4-5,8H,3,6-7H2,(H,14,17)(H,15,18).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide?
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide has a molecular weight of 275.26 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide is sourced from PubChem (CID 56766373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).