[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C22H26FNO4 — CID 142299032

IUPAC[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H26FNO4/c1-22(2,3)28-21(26)24-15-20(25)27-19(13-16-7-5-4-6-8-16)14-17-9-11-18(23)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,24,26)
InChIKeyLELQUNROWRQIPY-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.05
Rot. Bonds7

About [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 142299032) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID142299032
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H26FNO4/c1-22(2,3)28-21(26)24-15-20(25)27-19(13-16-7-5-4-6-8-16)14-17-9-11-18(23)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,24,26)
InChIKeyLELQUNROWRQIPY-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Mls002695168
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Glycine, N-benzyloxycarbonyl-, decyl ester
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Benzyl N-benzyloxycarbonylglycinate
CID 79648
N-Boc-Ala-O-(3,3-Difluoro-3-phenylpropyl)-OH
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[(1R,6R)-2-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl]methyl acetate
CID 134961759
(4-fluoro-5-phenylpentyl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 162418020
2-Phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
Methyl N-[2-(2-(4-fluorophenyl)ethoxy)ethyl]carbamate
CID 18779044
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 20071798
2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate
CID 70465791

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 142299032) is [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OC(Cc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is LELQUNROWRQIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-22(2,3)28-21(26)24-15-20(25)27-19(13-16-7-5-4-6-8-16)14-17-9-11-18(23)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,24,26).
What are the key properties of [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 387.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-phenylpropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 142299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).