tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

C14H21NO3 — CID 545866

IUPACtert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyLDKDMDVMMCXTMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate (PubChem CID 545866) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
PubChem CID545866
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyLDKDMDVMMCXTMO-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate (CID 545866) is tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
The InChIKey is LDKDMDVMMCXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate?
tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 545866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).