2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate

C10H20N2O3 — CID 62823958

IUPAC2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
SMILESCOCCOC(=O)CN1CCCNCC1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-10(13)9-12-5-2-3-11-4-6-12/h11H,2-9H2,1H3
InChIKeyDAIGLVWZFACAKX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate

2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate (PubChem CID 62823958) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
PubChem CID62823958
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
SMILESCOCCOC(=O)CN1CCCNCC1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-10(13)9-12-5-2-3-11-4-6-12/h11H,2-9H2,1H3
InChIKeyDAIGLVWZFACAKX-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
CID 104562881
pentyl 2-(1,4-diazepan-1-yl)acetate
CID 62823071
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-8-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 90455410
3-phenylpropyl 2-(1,4-diazepan-1-yl)acetate
CID 62824144
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 62837792
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
1-(methoxymethyl)-1,4-diazepane
CID 174500454

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate?
The IUPAC name of 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate (CID 62823958) is 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate is COCCOC(=O)CN1CCCNCC1.
What is the InChIKey of 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate?
The InChIKey is DAIGLVWZFACAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-7-8-15-10(13)9-12-5-2-3-11-4-6-12/h11H,2-9H2,1H3.
What are the key properties of 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate?
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate is sourced from PubChem (CID 62823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).