2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide

C16H33N3O — CID 62839599

IUPAC2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C16H33N3O/c1-15(2)8-5-3-4-6-10-18-16(20)14-19-12-7-9-17-11-13-19/h15,17H,3-14H2,1-2H3,(H,18,20)
InChIKeyJXZNYNQFUVBRHG-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds9

About 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide

2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide (PubChem CID 62839599) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
PubChem CID62839599
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C16H33N3O/c1-15(2)8-5-3-4-6-10-18-16(20)14-19-12-7-9-17-11-13-19/h15,17H,3-14H2,1-2H3,(H,18,20)
InChIKeyJXZNYNQFUVBRHG-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106247485
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide (CID 62839599) is 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide is CC(C)CCCCCCNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide?
The InChIKey is JXZNYNQFUVBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2)8-5-3-4-6-10-18-16(20)14-19-12-7-9-17-11-13-19/h15,17H,3-14H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 9 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-(7-methyloctyl)acetamide is sourced from PubChem (CID 62839599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).