methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate

C17H20NO2P — CID 11426588

IUPACmethyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C17H20NO2P/c1-14(2)21(18-17(19)20-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyBIGSKWOXDQLHEV-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.01
Rot. Bonds3

About methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate

methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate (PubChem CID 11426588) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate
PubChem CID11426588
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Namemethyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C17H20NO2P/c1-14(2)21(18-17(19)20-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyBIGSKWOXDQLHEV-UHFFFAOYSA-N
XLogP4.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.01
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 methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate (CID 11426588) is methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate is COC(=O)N=P(c1ccccc1)(c1ccccc1)C(C)C.
What is the InChIKey of methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate?
The InChIKey is BIGSKWOXDQLHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-14(2)21(18-17(19)20-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3.
What are the key properties of methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate?
methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate has a molecular weight of 301.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[diphenyl(propan-2-yl)-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 11426588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).