N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide

C21H25NO4 — CID 52891638

IUPACN-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCCOc2ccccc2C)c(C(C)=O)c1
InChIInChI=1S/C21H25NO4/c1-4-7-21(24)22-17-10-11-20(18(14-17)16(3)23)26-13-12-25-19-9-6-5-8-15(19)2/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,24)
InChIKeyDULIXHNLDXKBIZ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.39
Rot. Bonds9

About N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide

N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide (PubChem CID 52891638) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
PubChem CID52891638
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCCOc2ccccc2C)c(C(C)=O)c1
InChIInChI=1S/C21H25NO4/c1-4-7-21(24)22-17-10-11-20(18(14-17)16(3)23)26-13-12-25-19-9-6-5-8-15(19)2/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,24)
InChIKeyDULIXHNLDXKBIZ-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide (CID 52891638) is N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCCOc2ccccc2C)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide?
The InChIKey is DULIXHNLDXKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-7-21(24)22-17-10-11-20(18(14-17)16(3)23)26-13-12-25-19-9-6-5-8-15(19)2/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide?
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide has a molecular weight of 355.43 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide is sourced from PubChem (CID 52891638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).