tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate

C15H23NO5 — CID 171884279

IUPACtert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1ccc(O)cc1
InChIInChI=1S/C15H23NO5/c1-15(2,3)21-14(20)16-9-8-12(18)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,17-19H,8-9H2,1-3H3,(H,16,20)
InChIKeyZQLJNIMXRSJMGN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.70
Rot. Bonds5

About tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate

tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate (PubChem CID 171884279) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
PubChem CID171884279
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nametert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1ccc(O)cc1
InChIInChI=1S/C15H23NO5/c1-15(2,3)21-14(20)16-9-8-12(18)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,17-19H,8-9H2,1-3H3,(H,16,20)
InChIKeyZQLJNIMXRSJMGN-UHFFFAOYSA-N
XLogP1.70
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
tert-butyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170833086
tert-butyl N-[4-(4-ethynylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884393
tert-butyl N-[3,4-dihydroxy-4-[4-(trifluoromethoxy)phenyl]butyl]carbamate
CID 171885432
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447
tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
ethyl 2-[4-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]-2-oxoacetate
CID 171885794
tert-butyl N-[4-(6-bromo-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171885899
tert-butyl N-[3,4-dihydroxy-4-[4-(2H-tetrazol-5-yl)phenyl]butyl]carbamate
CID 171885590
tert-butyl N-[4-(4-acetyl-3-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171885168
tert-butyl N-[4-[4-fluoro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171884743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate (CID 171884279) is tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(O)C(O)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate?
The InChIKey is ZQLJNIMXRSJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(2,3)21-14(20)16-9-8-12(18)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,17-19H,8-9H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate?
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate is sourced from PubChem (CID 171884279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).