2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide

C15H27N3O2 — CID 61447821

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
SMILESCC1CCCC(N(C)C(=O)C(=O)N2CCCNCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-6-13(11-12)17(2)14(19)15(20)18-9-4-7-16-8-10-18/h12-13,16H,3-11H2,1-2H3
InChIKeyPDOQLWZOIZIDOU-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds1

About 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide (PubChem CID 61447821) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
PubChem CID61447821
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
SMILESCC1CCCC(N(C)C(=O)C(=O)N2CCCNCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-6-13(11-12)17(2)14(19)15(20)18-9-4-7-16-8-10-18/h12-13,16H,3-11H2,1-2H3
InChIKeyPDOQLWZOIZIDOU-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(thiolan-3-yl)acetamide
CID 43297009
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 55249454
N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119285985
N-cyclohexyl-N-ethyl-2-oxo-2-piperazin-1-ylacetamide
CID 43145099
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide
CID 63999596
2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
CID 107414743
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507207
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 60890278
N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide (CID 61447821) is 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide is CC1CCCC(N(C)C(=O)C(=O)N2CCCNCC2)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide?
The InChIKey is PDOQLWZOIZIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-5-3-6-13(11-12)17(2)14(19)15(20)18-9-4-7-16-8-10-18/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide is sourced from PubChem (CID 61447821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).