tert-Butyl 2-(3-Methoxycarbonyladamant-1-ylcarbonylamino)-6-(N,N-dimethylaminocarbonyl)hex-4-ynoate

HCID 21940554
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Basic information

Standard SMILES
COC(=O)C12CC3CC(CC(C(=O)NC(CC#CCC(=O)N(C)C)C(=O)OC(C)(C)C)(C3)C1)C2
InChIKey
ASBPVEUBTPXCLD-UHFFFAOYSA-N
Molecular formula
C26H38N2O6
Average molar mass
474.6 g/mol

Names & identifiers

Preferred name
tert-Butyl 2-(3-Methoxycarbonyladamant-1-ylcarbonylamino)-6-(N,N-dimethylaminocarbonyl)hex-4-ynoate
IUPAC
methyl 3-[[7-(dimethylamino)-1-[(2-methylpropan-2-yl)oxy]-1,7-dioxohept-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate

Names & synonyms

ASBPVEUBTPXCLD-UHFFFAOYSA-Ntert-Butyl 2-(3-Methoxycarbonyladamant-1-ylcarbonylamino)-6-(N,N-dimethylaminocarbonyl)hex-4-ynoate

Database identifiers

PubChem CID
21940554

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
34

Related reactions

3 records
New reaction record

Compound notes

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