N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C16H18N2O3 — CID 580434

IUPACN-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C
InChIInChI=1S/C16H18N2O3/c1-15(2)11(16(15,3)4)12(19)17-18-13(20)9-7-5-6-8-10(9)14(18)21/h5-8,11H,1-4H3,(H,17,19)
InChIKeyBVEFMJMXKCKLHQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 580434) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID580434
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C
InChIInChI=1S/C16H18N2O3/c1-15(2)11(16(15,3)4)12(19)17-18-13(20)9-7-5-6-8-10(9)14(18)21/h5-8,11H,1-4H3,(H,17,19)
InChIKeyBVEFMJMXKCKLHQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 580434) is N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is BVEFMJMXKCKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-15(2)11(16(15,3)4)12(19)17-18-13(20)9-7-5-6-8-10(9)14(18)21/h5-8,11H,1-4H3,(H,17,19).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 580434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).