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

C11H21N3O2 — CID 43145054

IUPACN-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C11H21N3O2/c1-3-9(2)13-10(15)11(16)14-7-4-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeySRUIPECIMNMYDO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds2

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

N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide (PubChem CID 43145054) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
PubChem CID43145054
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C11H21N3O2/c1-3-9(2)13-10(15)11(16)14-7-4-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeySRUIPECIMNMYDO-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
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-hexan-3-yl-2-oxoacetamide
CID 55037919
2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide
CID 103112906
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
N-(2-methylpropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507132
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
CID 106029723
2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 43327510
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
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The IUPAC name of N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide (CID 43145054) is N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The canonical SMILES for N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide is CCC(C)NC(=O)C(=O)N1CCCNCC1.
What is the InChIKey of N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The InChIKey is SRUIPECIMNMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-9(2)13-10(15)11(16)14-7-4-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide is sourced from PubChem (CID 43145054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).