tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate

C14H19NO5 — CID 154575082

IUPACtert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1ccc(O)c(CO)c1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-7-12(18)9-4-5-11(17)10(6-9)8-16/h4-6,16-17H,7-8H2,1-3H3,(H,15,19)
InChIKeyNSEGNODZIHCECV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.59
Rot. Bonds4

About tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate (PubChem CID 154575082) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
PubChem CID154575082
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nametert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1ccc(O)c(CO)c1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-7-12(18)9-4-5-11(17)10(6-9)8-16/h4-6,16-17H,7-8H2,1-3H3,(H,15,19)
InChIKeyNSEGNODZIHCECV-UHFFFAOYSA-N
XLogP1.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]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-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165467941
tert-butyl N-[2-[[3-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]carbamate
CID 56826930
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
3-(2-hydroxy-5-methoxycarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880776
tert-butyl N-[2-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254174
tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate (CID 154575082) is tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1ccc(O)c(CO)c1.
What is the InChIKey of tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate?
The InChIKey is NSEGNODZIHCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-7-12(18)9-4-5-11(17)10(6-9)8-16/h4-6,16-17H,7-8H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate is sourced from PubChem (CID 154575082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).