[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate

C21H24FNO5 — CID 2662596

IUPAC[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H24FNO5/c1-4-11-27-18-10-7-16(12-19(18)26-3)21(25)28-13-20(24)23-14(2)15-5-8-17(22)9-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyYVUIPRZXQTVPOX-CQSZACIVSA-N
MW389.42 g/mol
LogP3.66
Rot. Bonds9

About [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate

[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate (PubChem CID 2662596) has the molecular formula C21H24FNO5 and a molecular weight of 389.42 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
PubChem CID2662596
Molecular FormulaC21H24FNO5
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H24FNO5/c1-4-11-27-18-10-7-16(12-19(18)26-3)21(25)28-13-20(24)23-14(2)15-5-8-17(22)9-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyYVUIPRZXQTVPOX-CQSZACIVSA-N
XLogP3.66
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558706
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 2629341
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7906535
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2514964
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501403
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The IUPAC name of [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate (CID 2662596) is [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC.
What is the InChIKey of [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The InChIKey is YVUIPRZXQTVPOX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24FNO5/c1-4-11-27-18-10-7-16(12-19(18)26-3)21(25)28-13-20(24)23-14(2)15-5-8-17(22)9-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate has a molecular weight of 389.42 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate is sourced from PubChem (CID 2662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).