tert-Butyl (3-{[(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)carbonyl](methyl)amino}propyl)methylcarbamate

HCID 86761908
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Basic information

Standard SMILES
CN(CCCN(C)C(=O)c1ccc(CNCC(C)(C)C)s1)C(=O)OC(C)(C)C
InChIKey
XNMHFOSWLPMVAB-UHFFFAOYSA-N
Molecular formula
C21H37N3O3S
Average molar mass
411.6 g/mol

Names & identifiers

Preferred name
tert-Butyl (3-{[(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)carbonyl](methyl)amino}propyl)methylcarbamate
IUPAC
tert-butyl N-[3-[[5-[(2,2-dimethylpropylamino)methyl]thiophene-2-carbonyl]-methylamino]propyl]-N-methylcarbamate

Names & synonyms

XNMHFOSWLPMVAB-UHFFFAOYSA-Ntert-Butyl (3-{[(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)carbonyl](methyl)amino}propyl)methylcarbamate

Database identifiers

PubChem CID
86761908

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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