tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate

C20H24N2O2 — CID 101473638

IUPACtert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)24-19(23)22-15-18-11-9-17(10-12-18)14-21-13-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b21-13+
InChIKeyQLIJMNDXNNJVJC-FYJGNVAPSA-N
MW324.42 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate (PubChem CID 101473638) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate
PubChem CID101473638
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)24-19(23)22-15-18-11-9-17(10-12-18)14-21-13-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b21-13+
InChIKeyQLIJMNDXNNJVJC-FYJGNVAPSA-N
XLogP4.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-(isothiocyanatomethyl)phenyl]methyl]carbamate
CID 10850230
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[[4-(azidomethyl)phenyl]methyl]carbamate
CID 150442768
tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-(N,N'-dibenzylcarbamimidoyl)carbamate
CID 11121334
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate
CID 54672196
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate (CID 101473638) is tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C/N=C/c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate?
The InChIKey is QLIJMNDXNNJVJC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)24-19(23)22-15-18-11-9-17(10-12-18)14-21-13-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,22,23)/b21-13+.
What are the key properties of tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 101473638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).