N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide

C16H24FN3O3 — CID 119684397

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
SMILESCOCCNCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H24FN3O3/c1-12(2)20(16(22)10-18-8-9-23-3)11-15(21)19-14-6-4-13(17)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyAGLKJYQGLRXXST-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.24
Rot. Bonds9

About N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide (PubChem CID 119684397) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
PubChem CID119684397
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
SMILESCOCCNCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H24FN3O3/c1-12(2)20(16(22)10-18-8-9-23-3)11-15(21)19-14-6-4-13(17)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyAGLKJYQGLRXXST-UHFFFAOYSA-N
XLogP1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
CID 119268521
2-(2-methoxyethylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 119677951
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119268520
N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62642513
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
CID 17430347
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 112799775
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide (CID 119684397) is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide is COCCNCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide?
The InChIKey is AGLKJYQGLRXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-12(2)20(16(22)10-18-8-9-23-3)11-15(21)19-14-6-4-13(17)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide has a molecular weight of 325.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 119684397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).