N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide

C16H18N2O3 — CID 6460635

IUPACN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)8-18-15(20)12-6-5-11(7-13(12)16(18)21)17-14(19)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyGUVWMORAILGPAQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide

N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide (PubChem CID 6460635) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide
PubChem CID6460635
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)8-18-15(20)12-6-5-11(7-13(12)16(18)21)17-14(19)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyGUVWMORAILGPAQ-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
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-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide (CID 6460635) is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide is CC(C)CN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O.
What is the InChIKey of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide?
The InChIKey is GUVWMORAILGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)8-18-15(20)12-6-5-11(7-13(12)16(18)21)17-14(19)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide?
N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 6460635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).