(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

C21H32ClN3O2 — CID 75411811

IUPAC(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1
InChIInChI=1S/C21H32ClN3O2/c1-4-25(5-2)21(27)17-9-7-11-19(15-24(3)20(26)13-17)23-14-16-8-6-10-18(22)12-16/h6,8,10,12,17,19,23H,4-5,7,9,11,13-15H2,1-3H3/t17-,19-/m1/s1
InChIKeyRPXSDABJXLBYAE-IEBWSBKVSA-N
MW393.96 g/mol
LogP3.32
Rot. Bonds6

About (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411811) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411811
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1
InChIInChI=1S/C21H32ClN3O2/c1-4-25(5-2)21(27)17-9-7-11-19(15-24(3)20(26)13-17)23-14-16-8-6-10-18(22)12-16/h6,8,10,12,17,19,23H,4-5,7,9,11,13-15H2,1-3H3/t17-,19-/m1/s1
InChIKeyRPXSDABJXLBYAE-IEBWSBKVSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (CID 75411811) is (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is RPXSDABJXLBYAE-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-4-25(5-2)21(27)17-9-7-11-19(15-24(3)20(26)13-17)23-14-16-8-6-10-18(22)12-16/h6,8,10,12,17,19,23H,4-5,7,9,11,13-15H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 393.96 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).