tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate

C19H30NO5P — CID 102390460

IUPACtert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
SMILESCCOP(=O)(OCC)[C@]1(NC(=O)OC(C)(C)C)CCCc2ccccc21
InChIInChI=1S/C19H30NO5P/c1-6-23-26(22,24-7-2)19(20-17(21)25-18(3,4)5)14-10-12-15-11-8-9-13-16(15)19/h8-9,11,13H,6-7,10,12,14H2,1-5H3,(H,20,21)/t19-/m1/s1
InChIKeyUJCCLCRPWHLLRO-LJQANCHMSA-N
MW383.43 g/mol
LogP4.97
Rot. Bonds6

About tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate

tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate (PubChem CID 102390460) has the molecular formula C19H30NO5P and a molecular weight of 383.43 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
PubChem CID102390460
Molecular FormulaC19H30NO5P
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC Nametert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
SMILESCCOP(=O)(OCC)[C@]1(NC(=O)OC(C)(C)C)CCCc2ccccc21
InChIInChI=1S/C19H30NO5P/c1-6-23-26(22,24-7-2)19(20-17(21)25-18(3,4)5)14-10-12-15-11-8-9-13-16(15)19/h8-9,11,13H,6-7,10,12,14H2,1-5H3,(H,20,21)/t19-/m1/s1
InChIKeyUJCCLCRPWHLLRO-LJQANCHMSA-N
XLogP4.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate (CID 102390460) is tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate is CCOP(=O)(OCC)[C@]1(NC(=O)OC(C)(C)C)CCCc2ccccc21.
What is the InChIKey of tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate?
The InChIKey is UJCCLCRPWHLLRO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30NO5P/c1-6-23-26(22,24-7-2)19(20-17(21)25-18(3,4)5)14-10-12-15-11-8-9-13-16(15)19/h8-9,11,13H,6-7,10,12,14H2,1-5H3,(H,20,21)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate?
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate has a molecular weight of 383.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate is sourced from PubChem (CID 102390460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).