3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide

C23H29FN4O3 — CID 34698785

IUPAC3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C23H29FN4O3/c1-15-11-16(2)23(17(3)12-15)26-21(30)13-27(4)14-22(31)28(10-9-20(25)29)19-7-5-18(24)6-8-19/h5-8,11-12H,9-10,13-14H2,1-4H3,(H2,25,29)(H,26,30)
InChIKeyLZSPHBXIVDTDOI-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.53
Rot. Bonds9

About 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide (PubChem CID 34698785) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
PubChem CID34698785
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C23H29FN4O3/c1-15-11-16(2)23(17(3)12-15)26-21(30)13-27(4)14-22(31)28(10-9-20(25)29)19-7-5-18(24)6-8-19/h5-8,11-12H,9-10,13-14H2,1-4H3,(H2,25,29)(H,26,30)
InChIKeyLZSPHBXIVDTDOI-UHFFFAOYSA-N
XLogP2.53
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide with MolForge

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Related Compounds

3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
4-[[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37214883
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399
3-(N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 34693159
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
CID 24560999
2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622205
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide (CID 34698785) is 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide?
The InChIKey is LZSPHBXIVDTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-15-11-16(2)23(17(3)12-15)26-21(30)13-27(4)14-22(31)28(10-9-20(25)29)19-7-5-18(24)6-8-19/h5-8,11-12H,9-10,13-14H2,1-4H3,(H2,25,29)(H,26,30).
What are the key properties of 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide has a molecular weight of 428.51 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide is sourced from PubChem (CID 34698785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).