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

C16H23NO4 — CID 75438927

IUPACN-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCCOCC)c(C(C)=O)c1
InChIInChI=1S/C16H23NO4/c1-4-6-16(19)17-13-7-8-15(14(11-13)12(3)18)21-10-9-20-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyIOTDNFCJLZPIFX-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.04
Rot. Bonds9

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

N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide (PubChem CID 75438927) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
PubChem CID75438927
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCCOCC)c(C(C)=O)c1
InChIInChI=1S/C16H23NO4/c1-4-6-16(19)17-13-7-8-15(14(11-13)12(3)18)21-10-9-20-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyIOTDNFCJLZPIFX-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.04
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-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
5-(3-carboxypropanoylamino)-2-(2-methoxyethoxy)benzoic acid
CID 2725638

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide (CID 75438927) is N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide is CCCC(=O)Nc1ccc(OCCOCC)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide?
The InChIKey is IOTDNFCJLZPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-6-16(19)17-13-7-8-15(14(11-13)12(3)18)21-10-9-20-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide?
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide has a molecular weight of 293.36 g/mol, XLogP of 3.04, 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-ethoxyethoxy)phenyl]butanamide is sourced from PubChem (CID 75438927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).