2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione

C23H26N2O2 — CID 18271977

IUPAC2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(CN(CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16(2)18-9-7-17(8-10-18)15-24(19-11-12-19)13-14-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-10,16,19H,11-15H2,1-2H3
InChIKeyVECCRTZQAAPZOB-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.07
Rot. Bonds7

About 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione

2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 18271977) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione
PubChem CID18271977
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(CN(CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-16(2)18-9-7-17(8-10-18)15-24(19-11-12-19)13-14-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-10,16,19H,11-15H2,1-2H3
InChIKeyVECCRTZQAAPZOB-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione (CID 18271977) is 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione is CC(C)c1ccc(CN(CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1.
What is the InChIKey of 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is VECCRTZQAAPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)18-9-7-17(8-10-18)15-24(19-11-12-19)13-14-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-10,16,19H,11-15H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione?
2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 362.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 18271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).