N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

C21H19NO5 — CID 53054149

IUPACN-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C(C)=O)c3)o2)cc1
InChIInChI=1S/C21H19NO5/c1-14(23)15-4-3-5-16(12-15)22-21(24)20-11-10-19(27-20)13-26-18-8-6-17(25-2)7-9-18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyCLTTVNJHKYHUJG-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.32
Rot. Bonds7

About N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 53054149) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID53054149
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC NameN-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C(C)=O)c3)o2)cc1
InChIInChI=1S/C21H19NO5/c1-14(23)15-4-3-5-16(12-15)22-21(24)20-11-10-19(27-20)13-26-18-8-6-17(25-2)7-9-18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyCLTTVNJHKYHUJG-UHFFFAOYSA-N
XLogP4.32
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19458853
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451177
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870
5-[(4-acetylphenoxy)methyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 35526440
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 53054149) is N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3cccc(C(C)=O)c3)o2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is CLTTVNJHKYHUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-14(23)15-4-3-5-16(12-15)22-21(24)20-11-10-19(27-20)13-26-18-8-6-17(25-2)7-9-18/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 53054149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).