2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide

C13H25N3O2 — CID 114119164

IUPAC2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(NC(=O)CN2CCCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-2-18-12-8-11(9-12)15-13(17)10-16-6-3-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySDVNBGXPMBPQDE-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide (PubChem CID 114119164) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide
PubChem CID114119164
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(NC(=O)CN2CCCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-2-18-12-8-11(9-12)15-13(17)10-16-6-3-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySDVNBGXPMBPQDE-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
CID 55121307
N-[(1R)-1-cyclohexylethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81386070
N-(3-ethoxycyclobutyl)butanamide
CID 102610625
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
N-(azetidin-3-yl)-2-piperidin-1-ylacetamide;ethane;propane
CID 164918631
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide (CID 114119164) is 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide is CCOC1CC(NC(=O)CN2CCCNCC2)C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide?
The InChIKey is SDVNBGXPMBPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-18-12-8-11(9-12)15-13(17)10-16-6-3-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 114119164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).