2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide

C25H23N3O2 — CID 75455406

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1NCCc1ccccc1
InChIInChI=1S/C25H23N3O2/c1-18-20-11-5-6-12-21(20)25(30)28(18)17-24(29)27-23-14-8-7-13-22(23)26-16-15-19-9-3-2-4-10-19/h2-14,26H,1,15-17H2,(H,27,29)
InChIKeyDLUGFFSIBDVTHP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.41
Rot. Bonds7

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide (PubChem CID 75455406) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide
PubChem CID75455406
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1NCCc1ccccc1
InChIInChI=1S/C25H23N3O2/c1-18-20-11-5-6-12-21(20)25(30)28(18)17-24(29)27-23-14-8-7-13-22(23)26-16-15-19-9-3-2-4-10-19/h2-14,26H,1,15-17H2,(H,27,29)
InChIKeyDLUGFFSIBDVTHP-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide (CID 75455406) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1NCCc1ccccc1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide?
The InChIKey is DLUGFFSIBDVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-20-11-5-6-12-21(20)25(30)28(18)17-24(29)27-23-14-8-7-13-22(23)26-16-15-19-9-3-2-4-10-19/h2-14,26H,1,15-17H2,(H,27,29).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide is sourced from PubChem (CID 75455406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).