[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate

C19H27FN2O4 — CID 56520054

IUPAC[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate
SMILESCC(C)CCC(=O)NCC(=O)OC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O4/c1-13(2)4-9-17(23)22-12-18(24)26-14(3)19(25)21-11-10-15-5-7-16(20)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyFSHKTUQPQVYCRO-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.97
Rot. Bonds10

About [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate

[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate (PubChem CID 56520054) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate
PubChem CID56520054
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate
SMILESCC(C)CCC(=O)NCC(=O)OC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O4/c1-13(2)4-9-17(23)22-12-18(24)26-14(3)19(25)21-11-10-15-5-7-16(20)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyFSHKTUQPQVYCRO-UHFFFAOYSA-N
XLogP1.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662715
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951156
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797320
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8661645
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982035
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7958995
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 8528450

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate?
The IUPAC name of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate (CID 56520054) is [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate.
What is the SMILES notation for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate?
The canonical SMILES for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate is CC(C)CCC(=O)NCC(=O)OC(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate?
The InChIKey is FSHKTUQPQVYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-13(2)4-9-17(23)22-12-18(24)26-14(3)19(25)21-11-10-15-5-7-16(20)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate?
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate has a molecular weight of 366.43 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate is sourced from PubChem (CID 56520054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).