tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate

C20H23NO3 — CID 134839697

IUPACtert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1/C=C\c1ccccc1CO
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-18-11-7-6-9-16(18)13-12-15-8-4-5-10-17(15)14-22/h4-13,22H,14H2,1-3H3,(H,21,23)/b13-12-
InChIKeyPEWGFKLBJMFURJ-SEYXRHQNSA-N
MW325.41 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate

tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate (PubChem CID 134839697) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
PubChem CID134839697
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1/C=C\c1ccccc1CO
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-18-11-7-6-9-16(18)13-12-15-8-4-5-10-17(15)14-22/h4-13,22H,14H2,1-3H3,(H,21,23)/b13-12-
InChIKeyPEWGFKLBJMFURJ-SEYXRHQNSA-N
XLogP4.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-formylphenyl)carbamate;tert-butyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 160681330
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
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tert-butyl N-[2-(2,2-difluoroethenyl)phenyl]carbamate
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tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
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tert-butyl N-[2-[(Z)-2-(4-bromo-2-formylphenyl)ethenyl]phenyl]carbamate
CID 131747329
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate (CID 134839697) is tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1/C=C\c1ccccc1CO.
What is the InChIKey of tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate?
The InChIKey is PEWGFKLBJMFURJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-18-11-7-6-9-16(18)13-12-15-8-4-5-10-17(15)14-22/h4-13,22H,14H2,1-3H3,(H,21,23)/b13-12-.
What are the key properties of tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate?
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.70, 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-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate is sourced from PubChem (CID 134839697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).