N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide

C22H27NO3 — CID 8552006

IUPACN-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C22H27NO3/c1-5-15(2)23-21(24)17-11-9-16(10-12-17)14-25-19-8-6-7-18-13-22(3,4)26-20(18)19/h6-12,15H,5,13-14H2,1-4H3,(H,23,24)/t15-/m0/s1
InChIKeyLCMIINYLDRKTRM-HNNXBMFYSA-N
MW353.46 g/mol
LogP4.51
Rot. Bonds6

About N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide

N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide (PubChem CID 8552006) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
PubChem CID8552006
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C22H27NO3/c1-5-15(2)23-21(24)17-11-9-16(10-12-17)14-25-19-8-6-7-18-13-22(3,4)26-20(18)19/h6-12,15H,5,13-14H2,1-4H3,(H,23,24)/t15-/m0/s1
InChIKeyLCMIINYLDRKTRM-HNNXBMFYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide 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 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
CID 26842040
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
CID 26842085
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
CID 26842060
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-nitrophenyl)benzamide
CID 26842034
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
CID 78773150
4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
CID 62571340

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide (CID 8552006) is N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide is CC[C@H](C)NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The InChIKey is LCMIINYLDRKTRM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-15(2)23-21(24)17-11-9-16(10-12-17)14-25-19-8-6-7-18-13-22(3,4)26-20(18)19/h6-12,15H,5,13-14H2,1-4H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide is sourced from PubChem (CID 8552006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).