2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide

C25H25NO4 — CID 3318399

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide
SMILESCC(Oc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-17(28-22-11-7-8-18-16-25(2,3)30-23(18)22)24(27)26-19-12-14-21(15-13-19)29-20-9-5-4-6-10-20/h4-15,17H,16H2,1-3H3,(H,26,27)
InChIKeyVOORIGBSSXKGPD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.60
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide (PubChem CID 3318399) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide
PubChem CID3318399
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide
SMILESCC(Oc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-17(28-22-11-7-8-18-16-25(2,3)30-23(18)22)24(27)26-19-12-14-21(15-13-19)29-20-9-5-4-6-10-20/h4-15,17H,16H2,1-3H3,(H,26,27)
InChIKeyVOORIGBSSXKGPD-UHFFFAOYSA-N
XLogP5.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide 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

methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoate
CID 94156900
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
CID 134093208
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]thiourea
CID 134112846
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 29275418
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855733
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55614893
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 63942868
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide (CID 3318399) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide is CC(Oc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is VOORIGBSSXKGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17(28-22-11-7-8-18-16-25(2,3)30-23(18)22)24(27)26-19-12-14-21(15-13-19)29-20-9-5-4-6-10-20/h4-15,17H,16H2,1-3H3,(H,26,27).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 3318399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).