[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium

C23H30FN4O3+ — CID 8791451

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C23H29FN4O3/c1-5-28(15-22(30)26-21-11-9-20(10-12-21)25-17(3)29)16(2)23(31)27(4)14-18-7-6-8-19(24)13-18/h6-13,16H,5,14-15H2,1-4H3,(H,25,29)(H,26,30)/p+1/t16-/m1/s1
InChIKeyHVAWQRPNFBPJGU-MRXNPFEDSA-O
MW429.52 g/mol
LogP1.67
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium (PubChem CID 8791451) has the molecular formula C23H30FN4O3+ and a molecular weight of 429.52 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
PubChem CID8791451
Molecular FormulaC23H30FN4O3+
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C23H29FN4O3/c1-5-28(15-22(30)26-21-11-9-20(10-12-21)25-17(3)29)16(2)23(31)27(4)14-18-7-6-8-19(24)13-18/h6-13,16H,5,14-15H2,1-4H3,(H,25,29)(H,26,30)/p+1/t16-/m1/s1
InChIKeyHVAWQRPNFBPJGU-MRXNPFEDSA-O
XLogP1.67
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8683263
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8791449
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
CID 8791369
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779683

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium (CID 8791451) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The InChIKey is HVAWQRPNFBPJGU-MRXNPFEDSA-O. The full InChI is InChI=1S/C23H29FN4O3/c1-5-28(15-22(30)26-21-11-9-20(10-12-21)25-17(3)29)16(2)23(31)27(4)14-18-7-6-8-19(24)13-18/h6-13,16H,5,14-15H2,1-4H3,(H,25,29)(H,26,30)/p+1/t16-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium has a molecular weight of 429.52 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8791451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).