4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one

C22H28N2O3 — CID 26356168

IUPAC4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CCC1=O
InChIInChI=1S/C22H28N2O3/c1-26-15-14-24-13-12-23(11-10-22(24)25)17-20-8-5-9-21(16-20)27-18-19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3
InChIKeyXGLJKSSRJGMLAS-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.95
Rot. Bonds8

About 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one

4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 26356168) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID26356168
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CCC1=O
InChIInChI=1S/C22H28N2O3/c1-26-15-14-24-13-12-23(11-10-22(24)25)17-20-8-5-9-21(16-20)27-18-19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3
InChIKeyXGLJKSSRJGMLAS-UHFFFAOYSA-N
XLogP2.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one 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

4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
4-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42500639
7-[(3-phenylmethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 29088594
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
1-[(3-methoxyphenyl)methyl]-4-[(2,4,6-trifluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733208
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3-chlorophenyl)carbamate
CID 6100468
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one (CID 26356168) is 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one is COCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CCC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is XGLJKSSRJGMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-15-14-24-13-12-23(11-10-22(24)25)17-20-8-5-9-21(16-20)27-18-19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one?
4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 368.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 26356168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).