3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C20H22FNO6 — CID 7899454

IUPAC3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO6/c1-25-17-10-14(11-18(12-17)26-2)20(24)22-13-19(23)28-9-3-8-27-16-6-4-15(21)5-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,22,24)
InChIKeyRPEDESJIVNSVSB-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.59
Rot. Bonds10

About 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 7899454) has the molecular formula C20H22FNO6 and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID7899454
Molecular FormulaC20H22FNO6
Molecular Weight391.40 g/mol
Exact Mass391.14
IUPAC Name3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO6/c1-25-17-10-14(11-18(12-17)26-2)20(24)22-13-19(23)28-9-3-8-27-16-6-4-15(21)5-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,22,24)
InChIKeyRPEDESJIVNSVSB-UHFFFAOYSA-N
XLogP2.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905848
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
N-[3-(4-fluorophenyl)prop-2-ynyl]-3,5-dimethoxybenzamide
CID 90548123
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884539
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 7899454) is 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCCCOc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is RPEDESJIVNSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO6/c1-25-17-10-14(11-18(12-17)26-2)20(24)22-13-19(23)28-9-3-8-27-16-6-4-15(21)5-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 391.40 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).