Methyl 4-({[4-(1-adamantyl)phenoxy]acetyl}amino)benzoate

HCID 3470321
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Basic information

Standard SMILES
COC(=O)c1ccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIKey
BTGZEMOBQDECPX-UHFFFAOYSA-N
Molecular formula
C26H29NO4
Average molar mass
419.5 g/mol
Monoisotopic mass
419.20965841

Names & identifiers

Preferred name
Methyl 4-({[4-(1-adamantyl)phenoxy]acetyl}amino)benzoate
IUPAC
methyl 4-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate

Names & synonyms

Oprea1_701572SCHEMBL4299489BTGZEMOBQDECPX-UHFFFAOYSA-NAKOS001570559EU-0067359SR-01000393511SR-01000393511-1methyl 4-({[4-(1-adamantyl)phenoxy]acetyl}amino)benzoate4-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid methyl ester

Database identifiers

PubChem CID
3470321

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
31

Related reactions

4 records
New reaction record

Compound notes

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