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

C14H21NO4 — CID 14249476

IUPACtert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-11(16)10-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyKKYSYZXSOCQCJG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds5

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

tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate (PubChem CID 14249476) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
PubChem CID14249476
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-11(16)10-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyKKYSYZXSOCQCJG-UHFFFAOYSA-N
XLogP1.95
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
tert-butyl N-[(2S)-1-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 95280819
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-[3-(2-fluoro-3-methylsulfonylphenoxy)-2-hydroxypropyl]carbamate
CID 175231637
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513
tert-butyl N-[3-(2-formyl-3-methylphenoxy)-2-hydroxypropyl]carbamate
CID 159678975
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318514
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate (CID 14249476) is tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate is CC(C)(C)OC(=O)NCC(O)COc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate?
The InChIKey is KKYSYZXSOCQCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-11(16)10-18-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate?
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate has a molecular weight of 267.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate is sourced from PubChem (CID 14249476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).