methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate

C20H29N2O2PSi — CID 135064620

IUPACmethyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C20H29N2O2PSi/c1-16(2)21-25(22-20(23)24-3,17-12-8-7-9-13-17)18-14-10-11-15-19(18)26(4,5)6/h7-16,21H,1-6H3
InChIKeySSSGFVWPMPOTGC-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.06
Rot. Bonds5

About methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate

methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate (PubChem CID 135064620) has the molecular formula C20H29N2O2PSi and a molecular weight of 388.52 g/mol. Its IUPAC name is methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate
PubChem CID135064620
Molecular FormulaC20H29N2O2PSi
Molecular Weight388.52 g/mol
Exact Mass388.17
IUPAC Namemethyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C20H29N2O2PSi/c1-16(2)21-25(22-20(23)24-3,17-12-8-7-9-13-17)18-14-10-11-15-19(18)26(4,5)6/h7-16,21H,1-6H3
InChIKeySSSGFVWPMPOTGC-UHFFFAOYSA-N
XLogP4.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate (CID 135064620) is methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate is COC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1[Si](C)(C)C.
What is the InChIKey of methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate?
The InChIKey is SSSGFVWPMPOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N2O2PSi/c1-16(2)21-25(22-20(23)24-3,17-12-8-7-9-13-17)18-14-10-11-15-19(18)26(4,5)6/h7-16,21H,1-6H3.
What are the key properties of methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate?
methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate has a molecular weight of 388.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 135064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).