[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate

C10H19N3O3 — CID 155126002

IUPAC[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(=O)N1CCCNCC1
InChIInChI=1S/C10H19N3O3/c1-2-12-10(15)16-8-9(14)13-6-3-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,15)
InChIKeyZUTBABVIRDAGPK-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.45
Rot. Bonds3

About [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate

[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate (PubChem CID 155126002) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate
PubChem CID155126002
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(=O)N1CCCNCC1
InChIInChI=1S/C10H19N3O3/c1-2-12-10(15)16-8-9(14)13-6-3-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,15)
InChIKeyZUTBABVIRDAGPK-UHFFFAOYSA-N
XLogP-0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 54986600
N-ethylpiperazine-1-carboxamide
CID 9207783
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
1-(1,4-diazepan-1-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
CID 102722259
1-(1,4-diazepan-1-yl)-2-(3,5-dimethylcyclohexyl)oxyethanone
CID 64728403
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
2-(1,4-diazepan-1-yl)-N-(2-methoxy-2-methylpropyl)-2-oxoacetamide
CID 104764412
1-(1,4-diazepan-1-yl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956064

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate?
The IUPAC name of [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate (CID 155126002) is [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate.
What is the SMILES notation for [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate?
The canonical SMILES for [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate is CCNC(=O)OCC(=O)N1CCCNCC1.
What is the InChIKey of [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate?
The InChIKey is ZUTBABVIRDAGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-12-10(15)16-8-9(14)13-6-3-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,15).
What are the key properties of [2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate?
[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate has a molecular weight of 229.28 g/mol, XLogP of -0.45, 3 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)-2-oxoethyl] N-ethylcarbamate is sourced from PubChem (CID 155126002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).