4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide

C24H25NO5 — CID 55759778

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C24H25NO5/c1-17(26)19-12-13-20(22(16-19)28-2)29-15-7-11-23(27)25-24(21-10-6-14-30-21)18-8-4-3-5-9-18/h3-6,8-10,12-14,16,24H,7,11,15H2,1-2H3,(H,25,27)
InChIKeyYZBBVHVLWXIRCT-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.56
Rot. Bonds10

About 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide (PubChem CID 55759778) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
PubChem CID55759778
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C24H25NO5/c1-17(26)19-12-13-20(22(16-19)28-2)29-15-7-11-23(27)25-24(21-10-6-14-30-21)18-8-4-3-5-9-18/h3-6,8-10,12-14,16,24H,7,11,15H2,1-2H3,(H,25,27)
InChIKeyYZBBVHVLWXIRCT-UHFFFAOYSA-N
XLogP4.56
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[furan-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 134029325
5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
CID 60780335
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
CID 55750497
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
CID 55659284
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide (CID 55759778) is 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide?
The InChIKey is YZBBVHVLWXIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-17(26)19-12-13-20(22(16-19)28-2)29-15-7-11-23(27)25-24(21-10-6-14-30-21)18-8-4-3-5-9-18/h3-6,8-10,12-14,16,24H,7,11,15H2,1-2H3,(H,25,27).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide has a molecular weight of 407.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide is sourced from PubChem (CID 55759778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).