tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate

C15H28NO7P — CID 135025425

IUPACtert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate
SMILESCCOP(=O)(OCC)[C@]1(ONC(=O)OC(C)(C)C)CCCCC1=O
InChIInChI=1S/C15H28NO7P/c1-6-20-24(19,21-7-2)15(11-9-8-10-12(15)17)23-16-13(18)22-14(3,4)5/h6-11H2,1-5H3,(H,16,18)/t15-/m1/s1
InChIKeyUCXIEJFAVBYPBG-OAHLLOKOSA-N
MW365.36 g/mol
LogP3.55
Rot. Bonds7

About tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate

tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate (PubChem CID 135025425) has the molecular formula C15H28NO7P and a molecular weight of 365.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate
PubChem CID135025425
Molecular FormulaC15H28NO7P
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Nametert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate
SMILESCCOP(=O)(OCC)[C@]1(ONC(=O)OC(C)(C)C)CCCCC1=O
InChIInChI=1S/C15H28NO7P/c1-6-20-24(19,21-7-2)15(11-9-8-10-12(15)17)23-16-13(18)22-14(3,4)5/h6-11H2,1-5H3,(H,16,18)/t15-/m1/s1
InChIKeyUCXIEJFAVBYPBG-OAHLLOKOSA-N
XLogP3.55
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 11808932
ethyl 1-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-oxocyclohexane-1-carboxylate
CID 102072144
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
tert-butyl N-[(R)-[(1S)-1-diethoxyphosphoryl-2-oxocyclopentyl]-(3-methoxyphenyl)methyl]carbamate
CID 102475270
ethyl (1R)-1-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-2-oxocyclohexane-1-carboxylate
CID 135063083
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
tert-butyl N-(1-methyl-2-oxocyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 11210057
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl (1S)-1-(hydroxymethyl)-2-oxocyclohexane-1-carboxylate
CID 102277330
2-diethoxyphosphoryl-3-[(1S)-1-methyl-2-oxocyclohexyl]propanoate
CID 23422027
tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
CID 10926216
tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate
CID 102076053

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate (CID 135025425) is tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate is CCOP(=O)(OCC)[C@]1(ONC(=O)OC(C)(C)C)CCCCC1=O.
What is the InChIKey of tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate?
The InChIKey is UCXIEJFAVBYPBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28NO7P/c1-6-20-24(19,21-7-2)15(11-9-8-10-12(15)17)23-16-13(18)22-14(3,4)5/h6-11H2,1-5H3,(H,16,18)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate?
tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate has a molecular weight of 365.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate is sourced from PubChem (CID 135025425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).