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

C20H24N2O4 — CID 10665956

IUPACtert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(25)22-15-9-10-17(23)16(13-15)18(24)21-12-11-14-7-5-4-6-8-14/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNXDRVTIWKIVSAH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.71
Rot. Bonds5

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

tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate (PubChem CID 10665956) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
PubChem CID10665956
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(25)22-15-9-10-17(23)16(13-15)18(24)21-12-11-14-7-5-4-6-8-14/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNXDRVTIWKIVSAH-UHFFFAOYSA-N
XLogP3.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)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-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
CID 11566333
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383786
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
tert-butyl N-[3-[2-[(2-chloro-5-nitrobenzoyl)amino]ethyl]phenyl]carbamate
CID 139950419
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
(2S)-2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 178029879
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate (CID 10665956) is tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate?
The InChIKey is NXDRVTIWKIVSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(25)22-15-9-10-17(23)16(13-15)18(24)21-12-11-14-7-5-4-6-8-14/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 10665956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).