3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide

C20H22N2O2 — CID 4116921

IUPAC3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2C1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(2)22-18(16-10-6-7-11-17(16)20(22)24)19(23)21-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyJXVLCTFMIBEXRA-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds5

About 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide

3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide (PubChem CID 4116921) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide
PubChem CID4116921
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2C1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(2)22-18(16-10-6-7-11-17(16)20(22)24)19(23)21-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyJXVLCTFMIBEXRA-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide?
The IUPAC name of 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide (CID 4116921) is 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide?
The canonical SMILES for 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide is CC(C)N1C(=O)c2ccccc2C1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide?
The InChIKey is JXVLCTFMIBEXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)22-18(16-10-6-7-11-17(16)20(22)24)19(23)21-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide?
3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-phenylethyl)-2-propan-2-yl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 4116921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).