2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide

About 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide

2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide (PubChem CID 176565027) has the molecular formula C32H33N5O5 and a molecular weight of 567.65 g/mol. Its IUPAC name is 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name	2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
PubChem CID	176565027
Molecular Formula	C32H33N5O5
Molecular Weight	567.65 g/mol
Exact Mass	567.25
IUPAC Name	2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
SMILES	CNC(=O)C(CCC=O)N1Cc2cc(NC(=O)NC(C)(C)c3ccc(-c4cc(C#N)ccc4OC)cc3)ccc2C1=O
InChI	InChI=1S/C32H33N5O5/c1-32(2,23-10-8-21(9-11-23)26-16-20(18-33)7-14-28(26)42-4)36-31(41)35-24-12-13-25-22(17-24)19-37(30(25)40)27(6-5-15-38)29(39)34-3/h7-17,27H,5-6,19H2,1-4H3,(H,34,39)(H2,35,36,41)
InChIKey	MWWCOLOMGDSKBP-UHFFFAOYSA-N
XLogP	4.34
TPSA	140.63 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.65
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?

The IUPAC name of 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide (CID 176565027) is 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide.

What is the SMILES notation for 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?

The canonical SMILES for 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2cc(NC(=O)NC(C)(C)c3ccc(-c4cc(C#N)ccc4OC)cc3)ccc2C1=O.

What is the InChIKey of 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?

The InChIKey is MWWCOLOMGDSKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O5/c1-32(2,23-10-8-21(9-11-23)26-16-20(18-33)7-14-28(26)42-4)36-31(41)35-24-12-13-25-22(17-24)19-37(30(25)40)27(6-5-15-38)29(39)34-3/h7-17,27H,5-6,19H2,1-4H3,(H,34,39)(H2,35,36,41).

What are the key properties of 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?

2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide has a molecular weight of 567.65 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[4-(5-cyano-2-methoxyphenyl)phenyl]propan-2-ylcarbamoylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 176565027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).