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

C15H27N3O2 — CID 63999596

IUPAC2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide
SMILESCC1CCC(NC(=O)C(=O)N2CCCNCC2)C(C)C1
InChIInChI=1S/C15H27N3O2/c1-11-4-5-13(12(2)10-11)17-14(19)15(20)18-8-3-6-16-7-9-18/h11-13,16H,3-10H2,1-2H3,(H,17,19)
InChIKeyVWTQTRZNPBDYLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.75
Rot. Bonds1

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

2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide (PubChem CID 63999596) 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-(2,4-dimethylcyclohexyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide
PubChem CID63999596
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide
SMILESCC1CCC(NC(=O)C(=O)N2CCCNCC2)C(C)C1
InChIInChI=1S/C15H27N3O2/c1-11-4-5-13(12(2)10-11)17-14(19)15(20)18-8-3-6-16-7-9-18/h11-13,16H,3-10H2,1-2H3,(H,17,19)
InChIKeyVWTQTRZNPBDYLL-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'}

Analyze 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
CID 43327567
2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
CID 107414743
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
CID 61447821
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
N-(2,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 63998775
2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63994705
N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
CID 64570961
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide (CID 63999596) is 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide is CC1CCC(NC(=O)C(=O)N2CCCNCC2)C(C)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide?
The InChIKey is VWTQTRZNPBDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-4-5-13(12(2)10-11)17-14(19)15(20)18-8-3-6-16-7-9-18/h11-13,16H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,4-dimethylcyclohexyl)-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-(2,4-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-(2,4-dimethylcyclohexyl)-2-oxoacetamide is sourced from PubChem (CID 63999596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).