3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide

C23H25NO4 — CID 30832733

IUPAC3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C23H25NO4/c1-17(2)27-15-19-9-7-6-8-18(19)14-24-23(25)22-20(12-13-26-22)16-28-21-10-4-3-5-11-21/h3-13,17H,14-16H2,1-2H3,(H,24,25)
InChIKeyCSJYQEPREWRRLP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.71
Rot. Bonds9

About 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide

3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 30832733) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID30832733
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C23H25NO4/c1-17(2)27-15-19-9-7-6-8-18(19)14-24-23(25)22-20(12-13-26-22)16-28-21-10-4-3-5-11-21/h3-13,17H,14-16H2,1-2H3,(H,24,25)
InChIKeyCSJYQEPREWRRLP-UHFFFAOYSA-N
XLogP4.71
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55483885
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide (CID 30832733) is 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide is CC(C)OCc1ccccc1CNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is CSJYQEPREWRRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-17(2)27-15-19-9-7-6-8-18(19)14-24-23(25)22-20(12-13-26-22)16-28-21-10-4-3-5-11-21/h3-13,17H,14-16H2,1-2H3,(H,24,25).
What are the key properties of 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide?
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 30832733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).