2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

C11H23N3O2 — CID 79281462

IUPAC2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-13-5-3-6-14(8-7-13)11(15)10-12-4-9-16-2/h12H,3-10H2,1-2H3
InChIKeyRJKXDNBKZYQZMR-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.61
Rot. Bonds5

About 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 79281462) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID79281462
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCOCCNCC(=O)N1CCCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-13-5-3-6-14(8-7-13)11(15)10-12-4-9-16-2/h12H,3-10H2,1-2H3
InChIKeyRJKXDNBKZYQZMR-UHFFFAOYSA-N
XLogP-0.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119747878
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119710383
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
CID 62843119
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 79281462) is 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is COCCNCC(=O)N1CCCN(C)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is RJKXDNBKZYQZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13-5-3-6-14(8-7-13)11(15)10-12-4-9-16-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 79281462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).