azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone

C20H25NO3 — CID 35524316

IUPACazepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(C)c(OCc2ccc(C(=O)N3CCCCCC3)o2)c1
InChIInChI=1S/C20H25NO3/c1-15-7-8-16(2)19(13-15)23-14-17-9-10-18(24-17)20(22)21-11-5-3-4-6-12-21/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyCYXWWLAGLYDPAF-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.49
Rot. Bonds4

About azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone

azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 35524316) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
PubChem CID35524316
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameazepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(C)c(OCc2ccc(C(=O)N3CCCCCC3)o2)c1
InChIInChI=1S/C20H25NO3/c1-15-7-8-16(2)19(13-15)23-14-17-9-10-18(24-17)20(22)21-11-5-3-4-6-12-21/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyCYXWWLAGLYDPAF-UHFFFAOYSA-N
XLogP4.49
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone 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

5-[(2,5-dimethylphenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19337014
[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572611
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 129415278
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
azepan-1-yl-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471561
N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
CID 49351081
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
CID 19297067
2-[[5-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55829905
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone (CID 35524316) is azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone is Cc1ccc(C)c(OCc2ccc(C(=O)N3CCCCCC3)o2)c1.
What is the InChIKey of azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is CYXWWLAGLYDPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-7-8-16(2)19(13-15)23-14-17-9-10-18(24-17)20(22)21-11-5-3-4-6-12-21/h7-10,13H,3-6,11-12,14H2,1-2H3.
What are the key properties of azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone?
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 327.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 35524316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).