1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one

C29H43N2O2P — CID 134471318

IUPAC1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one
SMILESCCC(=O)P1(=O)N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H43N2O2P/c1-10-27(32)34(33)30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(34)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22H,10,17-18H2,1-9H3
InChIKeyNPGFONKETTYLJL-UHFFFAOYSA-N
MW482.65 g/mol
LogP8.64
Rot. Bonds8

About 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one

1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one (PubChem CID 134471318) has the molecular formula C29H43N2O2P and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one
PubChem CID134471318
Molecular FormulaC29H43N2O2P
Molecular Weight482.65 g/mol
Exact Mass482.31
IUPAC Name1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one
SMILESCCC(=O)P1(=O)N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H43N2O2P/c1-10-27(32)34(33)30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(34)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22H,10,17-18H2,1-9H3
InChIKeyNPGFONKETTYLJL-UHFFFAOYSA-N
XLogP8.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one?
The IUPAC name of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one (CID 134471318) is 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one?
The canonical SMILES for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one is CCC(=O)P1(=O)N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one?
The InChIKey is NPGFONKETTYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N2O2P/c1-10-27(32)34(33)30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(34)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22H,10,17-18H2,1-9H3.
What are the key properties of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one?
1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one has a molecular weight of 482.65 g/mol, XLogP of 8.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one is sourced from PubChem (CID 134471318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).