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

C17H21N2O2P — CID 135086992

IUPACmethyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N2O2P/c1-14(2)18-22(19-17(20)21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,1-3H3
InChIKeyNFDNVAORYQLNCE-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.52
Rot. Bonds4

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

methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate (PubChem CID 135086992) has the molecular formula C17H21N2O2P and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
PubChem CID135086992
Molecular FormulaC17H21N2O2P
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Namemethyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N2O2P/c1-14(2)18-22(19-17(20)21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,1-3H3
InChIKeyNFDNVAORYQLNCE-UHFFFAOYSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[diphenyl(propan-2-yl)-lambda5-phosphanylidene]carbamate
CID 11426588
Methyl [ethyl(diphenyl)-lambda~5~-phosphanylidene]carbamate
CID 14591965
methyl (2S)-2-(diphenylphosphorylamino)propanoate
CID 91978644
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylstannylphenyl)-lambda5-phosphanylidene]carbamate
CID 135064190
methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylsilylphenyl)-lambda5-phosphanylidene]carbamate
CID 135064620
methyl N-[(2-diphenylphosphorylphenyl)-phenyl-(propan-2-ylamino)-lambda5-phosphanylidene]carbamate
CID 135064621
methyl N-[(2-iodophenyl)-phenyl-(propan-2-ylamino)-lambda5-phosphanylidene]carbamate
CID 135065000
methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-lambda5-phosphanylidene]carbamate
CID 135065001
methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-lambda5-phosphanylidene]carbamate
CID 135065504
(Isopropylamino)(methyl)diphenylphosphonium iodide
CID 139081557
[Diphenyl-(propan-2-ylamino)-lambda5-phosphanylidene]-propan-2-ylazanium bromide
CID 139174386

Frequently Asked Questions

What is the IUPAC name of methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate (CID 135086992) is methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate is COC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The InChIKey is NFDNVAORYQLNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2O2P/c1-14(2)18-22(19-17(20)21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,1-3H3.
What are the key properties of methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate has a molecular weight of 316.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 135086992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).