2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine

C20H27N3O4P2 — CID 101374073

IUPAC2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine
SMILESC=CC(C)OP1(=NP(=O)(Oc2ccccc2)Oc2ccccc2)N(C)CCN1C
InChIInChI=1S/C20H27N3O4P2/c1-5-18(2)25-28(22(3)16-17-23(28)4)21-29(24,26-19-12-8-6-9-13-19)27-20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3
InChIKeyQIULPVZJIRAXLL-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.67
Rot. Bonds8

About 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine

2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine (PubChem CID 101374073) has the molecular formula C20H27N3O4P2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine
PubChem CID101374073
Molecular FormulaC20H27N3O4P2
Molecular Weight435.40 g/mol
Exact Mass435.15
IUPAC Name2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine
SMILESC=CC(C)OP1(=NP(=O)(Oc2ccccc2)Oc2ccccc2)N(C)CCN1C
InChIInChI=1S/C20H27N3O4P2/c1-5-18(2)25-28(22(3)16-17-23(28)4)21-29(24,26-19-12-8-6-9-13-19)27-20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3
InChIKeyQIULPVZJIRAXLL-UHFFFAOYSA-N
XLogP5.67
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
CID 164590594
2-methylpropane;triphenyl phosphate
CID 91193965
1,4-bis(diphenoxyphosphoryl)piperazine
CID 4226223
(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
CID 139084842
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
CID 91195065
bis(ethenyl) phenyl phosphate
CID 22119346
N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine
CID 12652581
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
CID 67678043
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine?
The IUPAC name of 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine (CID 101374073) is 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine.
What is the SMILES notation for 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine?
The canonical SMILES for 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine is C=CC(C)OP1(=NP(=O)(Oc2ccccc2)Oc2ccccc2)N(C)CCN1C.
What is the InChIKey of 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine?
The InChIKey is QIULPVZJIRAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4P2/c1-5-18(2)25-28(22(3)16-17-23(28)4)21-29(24,26-19-12-8-6-9-13-19)27-20-14-10-7-11-15-20/h5-15,18H,1,16-17H2,2-4H3.
What are the key properties of 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine?
2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine has a molecular weight of 435.40 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine is sourced from PubChem (CID 101374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).