tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate

C19H23NO4 — CID 140869030

IUPACtert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
SMILESCOc1ccc(Cc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-15-7-5-6-13(11-15)10-14-8-9-16(23-4)12-17(14)21/h5-9,11-12,21H,10H2,1-4H3,(H,20,22)
InChIKeyJTXSWPZQRGRYFR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate

tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate (PubChem CID 140869030) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
PubChem CID140869030
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nametert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
SMILESCOc1ccc(Cc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-15-7-5-6-13(11-15)10-14-8-9-16(23-4)12-17(14)21/h5-9,11-12,21H,10H2,1-4H3,(H,20,22)
InChIKeyJTXSWPZQRGRYFR-UHFFFAOYSA-N
XLogP4.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]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-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
CID 112748949
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
tert-butyl N-[3-[(4-chloro-2-fluoro-3-formylphenyl)methyl]phenyl]carbamate
CID 165384942
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116
tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
CID 91250750
methyl 3-methyl-2-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]butanoate
CID 101206651
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
CID 61261950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate (CID 140869030) is tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate is COc1ccc(Cc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1.
What is the InChIKey of tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate?
The InChIKey is JTXSWPZQRGRYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-15-7-5-6-13(11-15)10-14-8-9-16(23-4)12-17(14)21/h5-9,11-12,21H,10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate?
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate is sourced from PubChem (CID 140869030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).