(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

C18H33N3O2 — CID 75411812

IUPAC(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC2CCC2)CN(C)C(=O)C1
InChIInChI=1S/C18H33N3O2/c1-4-21(5-2)18(23)14-8-6-11-16(19-15-9-7-10-15)13-20(3)17(22)12-14/h14-16,19H,4-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyBAPJGXLVXKRJJX-GDBMZVCRSA-N
MW323.48 g/mol
LogP2.01
Rot. Bonds5

About (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411812) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411812
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC2CCC2)CN(C)C(=O)C1
InChIInChI=1S/C18H33N3O2/c1-4-21(5-2)18(23)14-8-6-11-16(19-15-9-7-10-15)13-20(3)17(22)12-14/h14-16,19H,4-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyBAPJGXLVXKRJJX-GDBMZVCRSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (CID 75411812) is (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC2CCC2)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is BAPJGXLVXKRJJX-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-21(5-2)18(23)14-8-6-11-16(19-15-9-7-10-15)13-20(3)17(22)12-14/h14-16,19H,4-13H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).