4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

C23H25NO5 — CID 28672946

IUPAC4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1
InChIInChI=1S/C23H25NO5/c1-4-15(2)28-18-8-5-16(6-9-18)23(26)24-20-13-17(7-11-22(20)27-3)21-12-10-19(14-25)29-21/h5-13,15,25H,4,14H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyAMLWLDJWCGAMST-OAHLLOKOSA-N
MW395.46 g/mol
LogP4.88
Rot. Bonds8

About 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (PubChem CID 28672946) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
PubChem CID28672946
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1
InChIInChI=1S/C23H25NO5/c1-4-15(2)28-18-8-5-16(6-9-18)23(26)24-20-13-17(7-11-22(20)27-3)21-12-10-19(14-25)29-21/h5-13,15,25H,4,14H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyAMLWLDJWCGAMST-OAHLLOKOSA-N
XLogP4.88
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide with MolForge

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Related Compounds

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
CID 46735867
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
2-(3,4-dimethylphenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28675745
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452
N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
CID 40625135

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (CID 28672946) is 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The InChIKey is AMLWLDJWCGAMST-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25NO5/c1-4-15(2)28-18-8-5-16(6-9-18)23(26)24-20-13-17(7-11-22(20)27-3)21-12-10-19(14-25)29-21/h5-13,15,25H,4,14H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 28672946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).