ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium

C17H27FN3O2+ — CID 8683263

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H26FN3O2/c1-5-19-16(22)12-21(6-2)13(3)17(23)20(4)11-14-8-7-9-15(18)10-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)/p+1/t13-/m0/s1
InChIKeyDPOVODNIZRVTFS-ZDUSSCGKSA-O
MW324.42 g/mol
LogP0.21
Rot. Bonds8

About ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium (PubChem CID 8683263) has the molecular formula C17H27FN3O2+ and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
PubChem CID8683263
Molecular FormulaC17H27FN3O2+
Molecular Weight324.42 g/mol
Exact Mass324.21
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H26FN3O2/c1-5-19-16(22)12-21(6-2)13(3)17(23)20(4)11-14-8-7-9-15(18)10-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)/p+1/t13-/m0/s1
InChIKeyDPOVODNIZRVTFS-ZDUSSCGKSA-O
XLogP0.21
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8791451
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
3-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111285612
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111286076
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 112796373
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium (CID 8683263) is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium is CCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
The InChIKey is DPOVODNIZRVTFS-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H26FN3O2/c1-5-19-16(22)12-21(6-2)13(3)17(23)20(4)11-14-8-7-9-15(18)10-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)/p+1/t13-/m0/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium has a molecular weight of 324.42 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8683263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).