3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide

C19H18N2O3 — CID 4168644

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-12(2)11-20-17(22)13-6-5-7-14(10-13)21-18(23)15-8-3-4-9-16(15)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNIMNAACCCSETGH-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.87
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide

3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide (PubChem CID 4168644) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
PubChem CID4168644
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-12(2)11-20-17(22)13-6-5-7-14(10-13)21-18(23)15-8-3-4-9-16(15)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNIMNAACCCSETGH-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.87
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

2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402528
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4863732
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide (CID 4168644) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is NIMNAACCCSETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)11-20-17(22)13-6-5-7-14(10-13)21-18(23)15-8-3-4-9-16(15)19(21)24/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 322.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).