[4-(Benzyloxycarbonylamino-methyl)phenyl]-carbamic acid tert-butyl ester

HCID 68540844

Notes Reactions

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Basic information

CAS: 630125-51-8
Standard SMILES: CC(C)(C)OC(=O)Nc1ccc(CNC(=O)OCc2ccccc2)cc1
InChIKey: AMMKFVUYUSWJKZ-UHFFFAOYSA-N
Molecular formula: C20H24N2O4
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.17360725

Names & identifiers

Preferred name: [4-(Benzyloxycarbonylamino-methyl)phenyl]-carbamic acid tert-butyl ester
IUPAC: benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate

Names & synonyms

630125-51-8benzyl N-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]carbamateSCHEMBL3182565DTXSID801120833[4-(benzyloxycarbonylamino-methyl)phenyl]-carbamic acid tert-butyl esterDB-336586EN300-336160Benzyl ({4-[(tert-butoxycarbonyl)amino]phenyl}methyl)carbamateCarbamic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]methyl]-, phenylmethyl ester

Database identifiers

CAS: 630125-51-8
PubChem CID: 68540844
DTXSID: DTXSID801120833

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 447

Related reactions

2 records

New reaction record

HRID 286130As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1148600As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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