1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane

C22H40N4O2 — CID 159345982

IUPAC1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane
SMILESCCOC1CN(C)CCN(C)C1.CN1CCN(C)CC(Oc2ccccc2)C1
InChIInChI=1S/C13H20N2O.C9H20N2O/c1-14-8-9-15(2)11-13(10-14)16-12-6-4-3-5-7-12;1-4-12-9-7-10(2)5-6-11(3)8-9/h3-7,13H,8-11H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyLGSQDEWPZQEWEA-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.58
Rot. Bonds4

About 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane

1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane (PubChem CID 159345982) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane
PubChem CID159345982
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane
SMILESCCOC1CN(C)CCN(C)C1.CN1CCN(C)CC(Oc2ccccc2)C1
InChIInChI=1S/C13H20N2O.C9H20N2O/c1-14-8-9-15(2)11-13(10-14)16-12-6-4-3-5-7-12;1-4-12-9-7-10(2)5-6-11(3)8-9/h3-7,13H,8-11H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyLGSQDEWPZQEWEA-UHFFFAOYSA-N
XLogP1.58
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane with MolForge

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Related Compounds

Diethyl(2-phenoxyethyl)amine
CID 66150
1-(4-Methyl-1,4-diazepan-1-yl)-2-phenoxyethanone
CID 17148763
[2-(Phenoxymethyl)-1,4-oxazepane-4-carbothioyl]sulfanyl 2-(phenoxymethyl)-1,4-oxazepane-4-carbodithioate
CID 137637525
4-(2-Phenoxyethyl)-1-propyl-1,4-diazepan-5-one
CID 24761300
1-Methyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 24761302
1-(2-Methylpropyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 24761295
1-Methyl-4-(2-phenoxyethyl)piperazine
CID 574799
1-[2-(4-Methoxyphenoxy)ethyl]azepane oxalate
CID 888209
2,6-Dimethyl-4-(2-phenoxyethyl)morpholine
CID 2923486
(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane
CID 75367712
(6R)-4-(oxan-4-yl)-6-phenoxy-1,4-oxazepane
CID 75367716
1-Ethyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 2199208

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane?
The IUPAC name of 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane (CID 159345982) is 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane.
What is the SMILES notation for 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane?
The canonical SMILES for 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane is CCOC1CN(C)CCN(C)C1.CN1CCN(C)CC(Oc2ccccc2)C1.
What is the InChIKey of 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane?
The InChIKey is LGSQDEWPZQEWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C9H20N2O/c1-14-8-9-15(2)11-13(10-14)16-12-6-4-3-5-7-12;1-4-12-9-7-10(2)5-6-11(3)8-9/h3-7,13H,8-11H2,1-2H3;9H,4-8H2,1-3H3.
What are the key properties of 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane?
1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane has a molecular weight of 392.59 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane is sourced from PubChem (CID 159345982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).