tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate

C20H25NO3 — CID 69174431

IUPACtert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(c1ccccc1)c1cccc(CO)c1
InChIInChI=1S/C20H25NO3/c1-19(2,3)24-18(23)21-20(4,16-10-6-5-7-11-16)17-12-8-9-15(13-17)14-22/h5-13,22H,14H2,1-4H3,(H,21,23)
InChIKeyHUASGIPDDNKMBQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate

tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate (PubChem CID 69174431) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
PubChem CID69174431
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(c1ccccc1)c1cccc(CO)c1
InChIInChI=1S/C20H25NO3/c1-19(2,3)24-18(23)21-20(4,16-10-6-5-7-11-16)17-12-8-9-15(13-17)14-22/h5-13,22H,14H2,1-4H3,(H,21,23)
InChIKeyHUASGIPDDNKMBQ-UHFFFAOYSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate (CID 69174431) is tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(C)(c1ccccc1)c1cccc(CO)c1.
What is the InChIKey of tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate?
The InChIKey is HUASGIPDDNKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-19(2,3)24-18(23)21-20(4,16-10-6-5-7-11-16)17-12-8-9-15(13-17)14-22/h5-13,22H,14H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate?
tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 3.97, 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-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate is sourced from PubChem (CID 69174431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).