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

C15H27N3O2 — CID 43327567

IUPAC2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
SMILESCC1CCCC(NC(=O)C(=O)N2CCCNCC2)C1C
InChIInChI=1S/C15H27N3O2/c1-11-5-3-6-13(12(11)2)17-14(19)15(20)18-9-4-7-16-8-10-18/h11-13,16H,3-10H2,1-2H3,(H,17,19)
InChIKeyNJSAXLNDLSKMSD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.75
Rot. Bonds1

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

2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide (PubChem CID 43327567) 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-(2,3-dimethylcyclohexyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
PubChem CID43327567
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
SMILESCC1CCCC(NC(=O)C(=O)N2CCCNCC2)C1C
InChIInChI=1S/C15H27N3O2/c1-11-5-3-6-13(12(11)2)17-14(19)15(20)18-9-4-7-16-8-10-18/h11-13,16H,3-10H2,1-2H3,(H,17,19)
InChIKeyNJSAXLNDLSKMSD-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-(2,4-dimethylcyclohexyl)-2-oxoacetamide
CID 63999596
N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548354
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
N-(2,3-dimethylcyclohexyl)piperazine-1-sulfonamide
CID 43209653
2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
CID 107414743
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-(2,3-dimethylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119676189
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65462596
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide (CID 43327567) is 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide is CC1CCCC(NC(=O)C(=O)N2CCCNCC2)C1C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide?
The InChIKey is NJSAXLNDLSKMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-5-3-6-13(12(11)2)17-14(19)15(20)18-9-4-7-16-8-10-18/h11-13,16H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide is sourced from PubChem (CID 43327567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).