5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide

C19H21NO4 — CID 95748484

IUPAC5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)N(C)CC3CC3)o2)cc1
InChIInChI=1S/C19H21NO4/c1-13(21)15-5-7-16(8-6-15)23-12-17-9-10-18(24-17)19(22)20(2)11-14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyZMBZOWULFCNQNV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.54
Rot. Bonds7

About 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide (PubChem CID 95748484) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
PubChem CID95748484
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)N(C)CC3CC3)o2)cc1
InChIInChI=1S/C19H21NO4/c1-13(21)15-5-7-16(8-6-15)23-12-17-9-10-18(24-17)19(22)20(2)11-14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyZMBZOWULFCNQNV-UHFFFAOYSA-N
XLogP3.54
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95748480
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 95748474
5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19455341
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide (CID 95748484) is 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)N(C)CC3CC3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide?
The InChIKey is ZMBZOWULFCNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(21)15-5-7-16(8-6-15)23-12-17-9-10-18(24-17)19(22)20(2)11-14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 95748484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).