[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

C24H29FN2O4 — CID 55995848

IUPAC[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1F
InChIInChI=1S/C24H29FN2O4/c1-16-4-5-20(10-22(16)25)11-26-23(28)15-30-24(29)21-8-6-19(7-9-21)14-27-12-17(2)31-18(3)13-27/h4-10,17-18H,11-15H2,1-3H3,(H,26,28)
InChIKeyVHLVYUCBJVVSMH-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.22
Rot. Bonds7

About [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (PubChem CID 55995848) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
PubChem CID55995848
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1F
InChIInChI=1S/C24H29FN2O4/c1-16-4-5-20(10-22(16)25)11-26-23(28)15-30-24(29)21-8-6-19(7-9-21)14-27-12-17(2)31-18(3)13-27/h4-10,17-18H,11-15H2,1-3H3,(H,26,28)
InChIKeyVHLVYUCBJVVSMH-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate with MolForge

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Related Compounds

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35189978
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994942
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387076
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide
CID 60508526
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55781235
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (CID 55995848) is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is Cc1ccc(CNC(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The InChIKey is VHLVYUCBJVVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-16-4-5-20(10-22(16)25)11-26-23(28)15-30-24(29)21-8-6-19(7-9-21)14-27-12-17(2)31-18(3)13-27/h4-10,17-18H,11-15H2,1-3H3,(H,26,28).
What are the key properties of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate has a molecular weight of 428.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 55995848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).