N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide

C21H21NO4 — CID 55806662

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1
InChIInChI=1S/C21H21NO4/c1-24-13-16-7-9-18(10-8-16)21(23)22-19-5-2-4-17(12-19)14-25-15-20-6-3-11-26-20/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyBFHQELLUCMSUNO-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.40
Rot. Bonds8

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide (PubChem CID 55806662) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
PubChem CID55806662
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1
InChIInChI=1S/C21H21NO4/c1-24-13-16-7-9-18(10-8-16)21(23)22-19-5-2-4-17(12-19)14-25-15-20-6-3-11-26-20/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyBFHQELLUCMSUNO-UHFFFAOYSA-N
XLogP4.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 55806690
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98890248
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
CID 17451164
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide (CID 55806662) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide?
The InChIKey is BFHQELLUCMSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-13-16-7-9-18(10-8-16)21(23)22-19-5-2-4-17(12-19)14-25-15-20-6-3-11-26-20/h2-12H,13-15H2,1H3,(H,22,23).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide has a molecular weight of 351.40 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 55806662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).