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

C15H27N3O3 — CID 63832479

IUPACN-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESO=C(NCCOC1CCCCC1)C(=O)N1CCCNCC1
InChIInChI=1S/C15H27N3O3/c19-14(15(20)18-10-4-7-16-8-11-18)17-9-12-21-13-5-2-1-3-6-13/h13,16H,1-12H2,(H,17,19)
InChIKeyCUOLFPWFISXKAM-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.27
Rot. Bonds4

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

N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide (PubChem CID 63832479) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
PubChem CID63832479
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESO=C(NCCOC1CCCCC1)C(=O)N1CCCNCC1
InChIInChI=1S/C15H27N3O3/c19-14(15(20)18-10-4-7-16-8-11-18)17-9-12-21-13-5-2-1-3-6-13/h13,16H,1-12H2,(H,17,19)
InChIKeyCUOLFPWFISXKAM-UHFFFAOYSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547271
2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
CID 106000350
2-(1,4-diazepan-1-yl)-N-(2-methoxy-2-methylpropyl)-2-oxoacetamide
CID 104764412
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111428421
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
CID 107414743
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide (CID 63832479) is N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide is O=C(NCCOC1CCCCC1)C(=O)N1CCCNCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The InChIKey is CUOLFPWFISXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-14(15(20)18-10-4-7-16-8-11-18)17-9-12-21-13-5-2-1-3-6-13/h13,16H,1-12H2,(H,17,19).
What are the key properties of N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide is sourced from PubChem (CID 63832479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).