N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide

C20H23NO3 — CID 31472185

IUPACN-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccc(C)cc2)c(C(C)=O)c1
InChIInChI=1S/C20H23NO3/c1-4-5-20(23)21-17-10-11-19(18(12-17)15(3)22)24-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyGRZGSOVXKNEEGC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.52
Rot. Bonds7

About N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide

N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide (PubChem CID 31472185) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
PubChem CID31472185
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccc(C)cc2)c(C(C)=O)c1
InChIInChI=1S/C20H23NO3/c1-4-5-20(23)21-17-10-11-19(18(12-17)15(3)22)24-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyGRZGSOVXKNEEGC-UHFFFAOYSA-N
XLogP4.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
CID 24656339
1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
CID 23019202
[1-[2-acetyl-4-(butanoylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-[(dihydroxyamino)oxymethyl]benzoate
CID 89013711
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide (CID 31472185) is N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2ccc(C)cc2)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide?
The InChIKey is GRZGSOVXKNEEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-5-20(23)21-17-10-11-19(18(12-17)15(3)22)24-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide?
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 31472185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).