1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane

C24H28N2O3 — CID 3443710

IUPAC1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1cc(C(c2ccco2)N2CCCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-27-23-17-20(10-11-21(23)29-18-19-7-3-2-4-8-19)24(22-9-5-16-28-22)26-14-6-12-25-13-15-26/h2-5,7-11,16-17,24-25H,6,12-15,18H2,1H3
InChIKeySZKSRVYFJFPSFM-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.25
Rot. Bonds7

About 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane

1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane (PubChem CID 3443710) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
PubChem CID3443710
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1cc(C(c2ccco2)N2CCCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-27-23-17-20(10-11-21(23)29-18-19-7-3-2-4-8-19)24(22-9-5-16-28-22)26-14-6-12-25-13-15-26/h2-5,7-11,16-17,24-25H,6,12-15,18H2,1H3
InChIKeySZKSRVYFJFPSFM-UHFFFAOYSA-N
XLogP4.25
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane 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-[(2,4-difluorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3835706
1-[(2,3-dichlorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3634777
1-[furan-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4594908
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 4271499
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3735914
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 5133295
1-[furan-2-yl-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 4669112
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane?
The IUPAC name of 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane (CID 3443710) is 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane is COc1cc(C(c2ccco2)N2CCCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane?
The InChIKey is SZKSRVYFJFPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-27-23-17-20(10-11-21(23)29-18-19-7-3-2-4-8-19)24(22-9-5-16-28-22)26-14-6-12-25-13-15-26/h2-5,7-11,16-17,24-25H,6,12-15,18H2,1H3.
What are the key properties of 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane?
1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane has a molecular weight of 392.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 3443710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).