tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate

C14H21NO5 — CID 10880575

IUPACtert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO5/c1-14(2,3)20-13(17)15-19-10-11(16)9-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyUEYLQEKAXZRFSN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate

tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate (PubChem CID 10880575) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
PubChem CID10880575
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO5/c1-14(2,3)20-13(17)15-19-10-11(16)9-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyUEYLQEKAXZRFSN-UHFFFAOYSA-N
XLogP1.88
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]carbamate
CID 54547220
6-hydroxy-2,2-dimethyl-7-phenoxyheptan-3-one
CID 10977882

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate (CID 10880575) is tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate is CC(C)(C)OC(=O)NOCC(O)COc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate?
The InChIKey is UEYLQEKAXZRFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-14(2,3)20-13(17)15-19-10-11(16)9-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate?
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate has a molecular weight of 283.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate is sourced from PubChem (CID 10880575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).