[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

C23H23NO5 — CID 8857948

IUPAC[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C23H23NO5/c1-15-9-10-16(2)20(13-15)24-22(25)17(3)28-23(26)21-12-11-19(29-21)14-27-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKeyOLZWAKNQOQADEY-QGZVFWFLSA-N
MW393.44 g/mol
LogP4.66
Rot. Bonds7

About [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 8857948) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID8857948
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C23H23NO5/c1-15-9-10-16(2)20(13-15)24-22(25)17(3)28-23(26)21-12-11-19(29-21)14-27-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKeyOLZWAKNQOQADEY-QGZVFWFLSA-N
XLogP4.66
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate with MolForge

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Related Compounds

[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519018
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519015
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893043
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893045
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8857975
[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 55419449
[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 42982418
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-prop-2-enoxybenzoate
CID 51934673
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8563572

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate (CID 8857948) is [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate is Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3)o2)c1.
What is the InChIKey of [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is OLZWAKNQOQADEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15-9-10-16(2)20(13-15)24-22(25)17(3)28-23(26)21-12-11-19(29-21)14-27-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,24,25)/t17-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 8857948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).