8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

C16H29N3O3 — CID 162846292

IUPAC8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCC(NC(C)=O)CN(C)C(=O)C1
InChIInChI=1S/C16H29N3O3/c1-5-19(6-2)16(22)13-8-7-9-14(17-12(3)20)11-18(4)15(21)10-13/h13-14H,5-11H2,1-4H3,(H,17,20)
InChIKeyKOSHEWXDXCQPCN-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.01
Rot. Bonds4

About 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 162846292) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID162846292
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCC(NC(C)=O)CN(C)C(=O)C1
InChIInChI=1S/C16H29N3O3/c1-5-19(6-2)16(22)13-8-7-9-14(17-12(3)20)11-18(4)15(21)10-13/h13-14H,5-11H2,1-4H3,(H,17,20)
InChIKeyKOSHEWXDXCQPCN-UHFFFAOYSA-N
XLogP1.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411812
8-(dimethylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 162798665
(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75529714
N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
CID 162888505
(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411811
N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
CID 162798076
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61022712
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
CID 162808112
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195

Frequently Asked Questions

What is the IUPAC name of 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (CID 162846292) is 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)C1CCCC(NC(C)=O)CN(C)C(=O)C1.
What is the InChIKey of 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is KOSHEWXDXCQPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-5-19(6-2)16(22)13-8-7-9-14(17-12(3)20)11-18(4)15(21)10-13/h13-14H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162846292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).