N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide

C14H14N2O3 — CID 47074120

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CCC3)c2C1=O
InChIInChI=1S/C14H14N2O3/c1-16-13(18)9-6-3-7-10(11(9)14(16)19)15-12(17)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,15,17)
InChIKeyIMULMWDSJZQCCS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.65
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide (PubChem CID 47074120) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
PubChem CID47074120
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CCC3)c2C1=O
InChIInChI=1S/C14H14N2O3/c1-16-13(18)9-6-3-7-10(11(9)14(16)19)15-12(17)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,15,17)
InChIKeyIMULMWDSJZQCCS-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924891
(3R)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 893861
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)pyrrolidine-2-carboxamide
CID 40924062
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
N-(5-amino-9,10-dioxoanthracen-1-yl)cyclohexanecarboxamide
CID 154102442
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide
CID 7157904
2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
CID 23735335
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
CID 108792195
N-[2-[1,3-dioxo-4-(prop-2-ynylamino)isoindol-2-yl]acetyl]cyclobutanecarboxamide
CID 156547201

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide (CID 47074120) is N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide is CN1C(=O)c2cccc(NC(=O)C3CCC3)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide?
The InChIKey is IMULMWDSJZQCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-13(18)9-6-3-7-10(11(9)14(16)19)15-12(17)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 47074120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).