tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate

C13H28NO5P — CID 11130662

IUPACtert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate
SMILESCCOP(=O)(OCC)N(C(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C13H28NO5P/c1-8-11(4)14(12(15)19-13(5,6)7)20(16,17-9-2)18-10-3/h11H,8-10H2,1-7H3
InChIKeyXNSBUNRBZIINQK-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.20
Rot. Bonds7

About tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate

tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate (PubChem CID 11130662) has the molecular formula C13H28NO5P and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate
PubChem CID11130662
Molecular FormulaC13H28NO5P
Molecular Weight309.34 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate
SMILESCCOP(=O)(OCC)N(C(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C13H28NO5P/c1-8-11(4)14(12(15)19-13(5,6)7)20(16,17-9-2)18-10-3/h11H,8-10H2,1-7H3
InChIKeyXNSBUNRBZIINQK-UHFFFAOYSA-N
XLogP4.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
tert-butyl N-(2-chloroethyl)-N-[2-chloroethyl(1-diethoxyphosphorylethyl)sulfamoyl]carbamate
CID 10929003
tert-butyl N-[3-(diethoxyphosphorylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12007629
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-ethyl-N-(4-methyl-3-oxohexan-2-yl)carbamate
CID 123630138
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate
CID 143200496
(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate (CID 11130662) is tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate is CCOP(=O)(OCC)N(C(=O)OC(C)(C)C)C(C)CC.
What is the InChIKey of tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate?
The InChIKey is XNSBUNRBZIINQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO5P/c1-8-11(4)14(12(15)19-13(5,6)7)20(16,17-9-2)18-10-3/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate?
tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate has a molecular weight of 309.34 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-diethoxyphosphorylcarbamate is sourced from PubChem (CID 11130662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).