3-Pyridinecarboxylic acid, 2-(bis(2-((1,1-dimethyl-2-phenylethyl)methylamino)-2-oxoethyl)amino)ethyl ester, hydrochloride (1:1)

HCID 201456

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Basic information

CAS: 6022-42-0
Standard SMILES: CN(C(=O)CN(CCOC(=O)c1cccnc1)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1.Cl
InChIKey: UMECEKNCJLEMFB-UHFFFAOYSA-N
Molecular formula: C34H45ClN4O4
Average molar mass: 609.2 g/mol
Monoisotopic mass: 608.3129336

Names & identifiers

Preferred name: 3-Pyridinecarboxylic acid, 2-(bis(2-((1,1-dimethyl-2-phenylethyl)methylamino)-2-oxoethyl)amino)ethyl ester, hydrochloride (1:1)
IUPAC: 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate;hydrochloride

Names & synonyms

WY 8566022-42-0DTXSID70208970RefChem:1068695DTXCID201314613-Pyridinecarboxylic acid, 2-(bis(2-((1,1-dimethyl-2-phenylethyl)methylamino)-2-oxoethyl)amino)ethyl ester, hydrochloride (1:1)Nicotinic acid, 2-(bis(((alpha,alpha-dimethylphenethyl)methylcarbamoyl)methyl)amino)ethyl ester, hydrochlorideAcetamide, 2,2'-(2-hydroxyethylimino)bis(N-(alpha,alpha-dimethylphenethyl)-N-methyl-, nicotinate, Monohydrochloride2-(Bis{2-[methyl(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl}amino)ethyl pyridine-3-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 6022-42-0
PubChem CID: 201456
DTXSID: DTXSID70208970

Properties

Computed structural properties

Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 15
Heavy atoms: 43
Formal charge: 0
Complexity: 812

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