[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C20H22FNO4 — CID 7791342

IUPAC[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC[C@H](NC(=O)COC(=O)COc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H22FNO4/c1-3-18(15-6-4-14(2)5-7-15)22-19(23)12-26-20(24)13-25-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyDUZKSMKOQFMZNU-SFHVURJKSA-N
MW359.40 g/mol
LogP3.32
Rot. Bonds8

About [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791342) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791342
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCC[C@H](NC(=O)COC(=O)COc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H22FNO4/c1-3-18(15-6-4-14(2)5-7-15)22-19(23)12-26-20(24)13-25-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyDUZKSMKOQFMZNU-SFHVURJKSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140880
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570677
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791342) is [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is CC[C@H](NC(=O)COC(=O)COc1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is DUZKSMKOQFMZNU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-3-18(15-6-4-14(2)5-7-15)22-19(23)12-26-20(24)13-25-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 359.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).