N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide

C22H26FNO4 — CID 139010634

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)c(OC)c1
InChIInChI=1S/C22H26FNO4/c1-26-19-7-6-17(20(13-19)27-2)15-24-21(25)22(8-10-28-11-9-22)14-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25)
InChIKeyRBAFERGGTLGSFO-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.50
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide (PubChem CID 139010634) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
PubChem CID139010634
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)c(OC)c1
InChIInChI=1S/C22H26FNO4/c1-26-19-7-6-17(20(13-19)27-2)15-24-21(25)22(8-10-28-11-9-22)14-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25)
InChIKeyRBAFERGGTLGSFO-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide 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

N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
N-ethyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082361
methyl (E)-4-[[4-[(3-fluorophenyl)methyl]oxane-4-carbonyl]amino]but-2-enoate
CID 154876912
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
1-carbamothioyl-N-[(2,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80590384
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129458761
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide (CID 139010634) is N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide is COc1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide?
The InChIKey is RBAFERGGTLGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-19-7-6-17(20(13-19)27-2)15-24-21(25)22(8-10-28-11-9-22)14-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 139010634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).