N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide

C13H14N2O4 — CID 59622421

IUPACN-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C13H14N2O4/c1-2-3-6-14-11(16)8-4-5-9-10(7-8)13(18)15(19)12(9)17/h4-5,7,19H,2-3,6H2,1H3,(H,14,16)
InChIKeyPAEWZIYXKZAAAY-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.20
Rot. Bonds4

About N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide

N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide (PubChem CID 59622421) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
PubChem CID59622421
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C13H14N2O4/c1-2-3-6-14-11(16)8-4-5-9-10(7-8)13(18)15(19)12(9)17/h4-5,7,19H,2-3,6H2,1H3,(H,14,16)
InChIKeyPAEWZIYXKZAAAY-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide
CID 102214820
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
N-butyl-1,3-dioxo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide
CID 45494673
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571762

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide (CID 59622421) is N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide is CCCCNC(=O)c1ccc2c(c1)C(=O)N(O)C2=O.
What is the InChIKey of N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PAEWZIYXKZAAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-3-6-14-11(16)8-4-5-9-10(7-8)13(18)15(19)12(9)17/h4-5,7,19H,2-3,6H2,1H3,(H,14,16).
What are the key properties of N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide?
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 59622421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).