Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

HCID 212918

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Basic information

CAS: 25384-90-1
Standard SMILES: CCCC(C)(COC(N)=O)COC(=O)NCc1ccccc1
InChIKey: VUAHEQMBPKYXHB-UHFFFAOYSA-N
Molecular formula: C16H24N2O4
Average molar mass: 308.37 g/mol
Monoisotopic mass: 308.17360725

Names & identifiers

Preferred name: Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N-benzylcarbamate

Names & synonyms

Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)25384-90-1RefChem:1080872Benzylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)2-(Hydroxymethyl)-2-methylpentyl benzylcarbamate carbamate (ester)

Database identifiers

CAS: 25384-90-1
PubChem CID: 212918

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 356

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