2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C22H28FN3O4 — CID 51133219

IUPAC2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1F
InChIInChI=1S/C22H28FN3O4/c1-14(2)26(16-7-9-19(29-4)17(23)11-16)13-22(28)24-12-21(27)25-18-10-15(3)6-8-20(18)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,27)
InChIKeySMODEYIEGSLGJE-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.12
Rot. Bonds9

About 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 51133219) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID51133219
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1F
InChIInChI=1S/C22H28FN3O4/c1-14(2)26(16-7-9-19(29-4)17(23)11-16)13-22(28)24-12-21(27)25-18-10-15(3)6-8-20(18)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,27)
InChIKeySMODEYIEGSLGJE-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60512989
2-[[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27201256
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
3-(3-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]propanamide
CID 43052444
5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 46555537
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 51133219) is 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(N(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1F.
What is the InChIKey of 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is SMODEYIEGSLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c1-14(2)26(16-7-9-19(29-4)17(23)11-16)13-22(28)24-12-21(27)25-18-10-15(3)6-8-20(18)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 417.48 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 51133219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).