3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione

C27H28N3O3P — CID 134274767

IUPAC3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(N2CCCN(c3ccc(C)cc3)P2(=O)C2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H28N3O3P/c1-20-9-13-22(14-10-20)28-17-6-18-29(23-15-11-21(2)12-16-23)34(28,33)25-19-26(31)30(27(25)32)24-7-4-3-5-8-24/h3-5,7-16,25H,6,17-19H2,1-2H3
InChIKeyNINUTNKYMWSTOH-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.55
Rot. Bonds4

About 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione

3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 134274767) has the molecular formula C27H28N3O3P and a molecular weight of 473.51 g/mol. Its IUPAC name is 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID134274767
Molecular FormulaC27H28N3O3P
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(N2CCCN(c3ccc(C)cc3)P2(=O)C2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H28N3O3P/c1-20-9-13-22(14-10-20)28-17-6-18-29(23-15-11-21(2)12-16-23)34(28,33)25-19-26(31)30(27(25)32)24-7-4-3-5-8-24/h3-5,7-16,25H,6,17-19H2,1-2H3
InChIKeyNINUTNKYMWSTOH-UHFFFAOYSA-N
XLogP5.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134272265
1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione
CID 134272260
3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]-1-phenylpyrrolidine-2,5-dione;1-cyclohexyl-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione;3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]-1-phenylpyrrolidine-2,5-dione;tetrakis(1-(4-methylphenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione);3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-1-phenylpyrrolidine-2,5-dione
CID 161349368
1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
CID 134262870
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
CID 134262838
5-hydroxy-1-(4-methylphenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidin-2-one
CID 134274772
3-[2-hydroxy-1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134262848
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(2S)-2-phenylpropyl]azanium
CID 6935449
(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51514997

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione (CID 134274767) is 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione is Cc1ccc(N2CCCN(c3ccc(C)cc3)P2(=O)C2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is NINUTNKYMWSTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N3O3P/c1-20-9-13-22(14-10-20)28-17-6-18-29(23-15-11-21(2)12-16-23)34(28,33)25-19-26(31)30(27(25)32)24-7-4-3-5-8-24/h3-5,7-16,25H,6,17-19H2,1-2H3.
What are the key properties of 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione?
3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 473.51 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 134274767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).