2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide

C12H25N3O2 — CID 107317788

IUPAC2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
SMILESO=C(CN1CCCNCC1)NCCCCCO
InChIInChI=1S/C12H25N3O2/c16-10-3-1-2-6-14-12(17)11-15-8-4-5-13-7-9-15/h13,16H,1-11H2,(H,14,17)
InChIKeyMIYLAAXHPOLDBF-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.44
Rot. Bonds7

About 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide

2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide (PubChem CID 107317788) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
PubChem CID107317788
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
SMILESO=C(CN1CCCNCC1)NCCCCCO
InChIInChI=1S/C12H25N3O2/c16-10-3-1-2-6-14-12(17)11-15-8-4-5-13-7-9-15/h13,16H,1-11H2,(H,14,17)
InChIKeyMIYLAAXHPOLDBF-UHFFFAOYSA-N
XLogP-0.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide (CID 107317788) is 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide is O=C(CN1CCCNCC1)NCCCCCO.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide?
The InChIKey is MIYLAAXHPOLDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c16-10-3-1-2-6-14-12(17)11-15-8-4-5-13-7-9-15/h13,16H,1-11H2,(H,14,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107317788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).