2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine

C30H66N2O10P2 — CID 163621446

IUPAC2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C.CCOP(=O)(OCC)C(N(OC(C)(C)OC=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36NO6P.C13H30NO4P/c1-11-22-25(20,23-12-2)14(15(3,4)5)18(16(6,7)8)24-17(9,10)21-13-19;1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h13-14H,11-12H2,1-10H3;11,15H,9-10H2,1-8H3
InChIKeyHOLMOZGEAVUOLP-UHFFFAOYSA-N
MW676.81 g/mol
LogP8.68
Rot. Bonds16

About 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine

2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (PubChem CID 163621446) has the molecular formula C30H66N2O10P2 and a molecular weight of 676.81 g/mol. Its IUPAC name is 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.

Molecular Properties

Compound Name2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
PubChem CID163621446
Molecular FormulaC30H66N2O10P2
Molecular Weight676.81 g/mol
Exact Mass676.42
IUPAC Name2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C.CCOP(=O)(OCC)C(N(OC(C)(C)OC=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36NO6P.C13H30NO4P/c1-11-22-25(20,23-12-2)14(15(3,4)5)18(16(6,7)8)24-17(9,10)21-13-19;1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h13-14H,11-12H2,1-10H3;11,15H,9-10H2,1-8H3
InChIKeyHOLMOZGEAVUOLP-UHFFFAOYSA-N
XLogP8.68
TPSA133.30 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500676.81
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 20751673
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 163552966
sodium 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 11407007
N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 23143931
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 102071689
CID 10935280
CID 10935280
undec-10-enyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 102290558
2-[tert-butyl(1-diethoxyphosphorylpropyl)amino]oxy-2-methylpropanoic acid
CID 89397790
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
CID 22041931
[3,5-bis[2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoyloxy]-2,4,6-trioxo-1,3,5-triazinan-1-yl] 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 101073397
N-tert-butyl-1-diethoxyphosphoryl-N-[[(1S,2S)-2-(2,2-dimethylpropyl)cyclopentyl]methoxy]-2,2-dimethylpropan-1-amine
CID 101240602

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The IUPAC name of 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (CID 163621446) is 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.
What is the SMILES notation for 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The canonical SMILES for 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is CCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C.CCOP(=O)(OCC)C(N(OC(C)(C)OC=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The InChIKey is HOLMOZGEAVUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO6P.C13H30NO4P/c1-11-22-25(20,23-12-2)14(15(3,4)5)18(16(6,7)8)24-17(9,10)21-13-19;1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h13-14H,11-12H2,1-10H3;11,15H,9-10H2,1-8H3.
What are the key properties of 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine has a molecular weight of 676.81 g/mol, XLogP of 8.68, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is sourced from PubChem (CID 163621446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).