Butyl N-[3-[[(butoxycarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]carbamate

HCID 11100732

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Basic information

CAS: 78581-44-9
Standard SMILES: CCCCOC(=O)NCC1(C)CC(NC(=O)OCCCC)CC(C)(C)C1
InChIKey: DUAXEFJRDGQLLU-UHFFFAOYSA-N
Molecular formula: C20H38N2O4
Average molar mass: 370.5 g/mol
Monoisotopic mass: 370.2831577

Names & identifiers

Preferred name: Butyl N-[3-[[(butoxycarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
IUPAC: butyl N-[3-[(butoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate

Names & synonyms

SCHEMBL1022208DUAXEFJRDGQLLU-UHFFFAOYSA-NDTXSID601137034Butyl N-[3-[[(butoxycarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]carbamate78581-44-91-(n-butoxy-carbonylamino)-3,3,5-trimethyl-5-(n-butoxy carbonylamino-methyl)-cyclohexaneButyl (3-{[(butoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate

Database identifiers

CAS: 78581-44-9
PubChem CID: 11100732
DTXSID: DTXSID601137034
EC Number: 616-637-8

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 453

Related reactions

1 records

New reaction record

HRID 2166659As productuspto-grants-1983_06

Compound notes

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