[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate

C19H25FN2O4 — CID 55448128

IUPAC[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESNC(=O)CCN(C(=O)COC(=O)CC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c20-15-6-8-16(9-7-15)22(11-10-17(21)23)18(24)13-26-19(25)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,21,23)
InChIKeyUSOJVBLINZPNIO-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.55
Rot. Bonds8

About [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate

[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate (PubChem CID 55448128) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate
PubChem CID55448128
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESNC(=O)CCN(C(=O)COC(=O)CC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c20-15-6-8-16(9-7-15)22(11-10-17(21)23)18(24)13-26-19(25)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,21,23)
InChIKeyUSOJVBLINZPNIO-UHFFFAOYSA-N
XLogP2.55
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The IUPAC name of [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate (CID 55448128) is [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate is NC(=O)CCN(C(=O)COC(=O)CC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The InChIKey is USOJVBLINZPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c20-15-6-8-16(9-7-15)22(11-10-17(21)23)18(24)13-26-19(25)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,21,23).
What are the key properties of [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate?
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate has a molecular weight of 364.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-cyclohexylacetate is sourced from PubChem (CID 55448128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).