4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide

C21H25FN2O4 — CID 7719430

IUPAC4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H25FN2O4/c1-3-27-18-10-4-5-11-19(18)28-13-7-12-21(26)24(2)15-20(25)23-17-9-6-8-16(22)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQYQFUSCJVJBGSV-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.48
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide

4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 7719430) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
PubChem CID7719430
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H25FN2O4/c1-3-27-18-10-4-5-11-19(18)28-13-7-12-21(26)24(2)15-20(25)23-17-9-6-8-16(22)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQYQFUSCJVJBGSV-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.48
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-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
4-(4-bromophenoxy)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982397
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 9439554
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39757435

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide (CID 7719430) is 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide is CCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is QYQFUSCJVJBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-3-27-18-10-4-5-11-19(18)28-13-7-12-21(26)24(2)15-20(25)23-17-9-6-8-16(22)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 388.44 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 7719430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).