tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate

C16H25NO3 — CID 18457008

IUPACtert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
SMILESCC(C)c1ccc(CCNC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11(2)13-7-6-12(14(18)10-13)8-9-17-15(19)20-16(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyLEWIEWIDMLZJDW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate

tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate (PubChem CID 18457008) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
PubChem CID18457008
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
SMILESCC(C)c1ccc(CCNC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11(2)13-7-6-12(14(18)10-13)8-9-17-15(19)20-16(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyLEWIEWIDMLZJDW-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]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-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
CID 103740181
tert-butyl N-[2-(4-cyano-2-fluorophenyl)ethyl]carbamate
CID 141083538
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
tert-butyl N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]ethyl]carbamate
CID 124575856
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate (CID 18457008) is tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate is CC(C)c1ccc(CCNC(=O)OC(C)(C)C)c(O)c1.
What is the InChIKey of tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate?
The InChIKey is LEWIEWIDMLZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)13-7-6-12(14(18)10-13)8-9-17-15(19)20-16(3,4)5/h6-7,10-11,18H,8-9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate?
tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 18457008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).