2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide

C14H25N3O2 — CID 107414743

IUPAC2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
SMILESCC1CCC(CNC(=O)C(=O)N2CCCNCC2)C1
InChIInChI=1S/C14H25N3O2/c1-11-3-4-12(9-11)10-16-13(18)14(19)17-7-2-5-15-6-8-17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyXDNXBQUKPSJNIB-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.36
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide (PubChem CID 107414743) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
PubChem CID107414743
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide
SMILESCC1CCC(CNC(=O)C(=O)N2CCCNCC2)C1
InChIInChI=1S/C14H25N3O2/c1-11-3-4-12(9-11)10-16-13(18)14(19)17-7-2-5-15-6-8-17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyXDNXBQUKPSJNIB-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.36
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
2-methyl-N-[(3-methylcyclopentyl)methyl]-2-piperazin-1-ylpropanamide
CID 107413127
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-methylsulfanylpropyl)-2-oxoacetamide
CID 113479277
2-(1,4-diazepan-1-yl)-N-(2-methoxy-2-methylpropyl)-2-oxoacetamide
CID 104764412
N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 63832479
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
CID 43327567
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
CID 61447821
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
CID 106000350
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide (CID 107414743) is 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide is CC1CCC(CNC(=O)C(=O)N2CCCNCC2)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide?
The InChIKey is XDNXBQUKPSJNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-3-4-12(9-11)10-16-13(18)14(19)17-7-2-5-15-6-8-17/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-[(3-methylcyclopentyl)methyl]-2-oxoacetamide has a molecular weight of 267.37 g/mol, XLogP of 0.36, 2 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-[(3-methylcyclopentyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 107414743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).