N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide

C25H24N2O2 — CID 68851424

IUPACN-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2C(=O)N1CCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24(26-18-20-12-5-2-6-13-20)23-21-15-7-8-16-22(21)25(29)27(23)17-9-14-19-10-3-1-4-11-19/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,26,28)
InChIKeyLVHPCRSWDNZVIE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.13
Rot. Bonds7

About N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide

N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide (PubChem CID 68851424) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
PubChem CID68851424
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2C(=O)N1CCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24(26-18-20-12-5-2-6-13-20)23-21-15-7-8-16-22(21)25(29)27(23)17-9-14-19-10-3-1-4-11-19/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,26,28)
InChIKeyLVHPCRSWDNZVIE-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The IUPAC name of N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide (CID 68851424) is N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide is O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1CCCc1ccccc1.
What is the InChIKey of N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The InChIKey is LVHPCRSWDNZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(26-18-20-12-5-2-6-13-20)23-21-15-7-8-16-22(21)25(29)27(23)17-9-14-19-10-3-1-4-11-19/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,26,28).
What are the key properties of N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).