[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

C23H25N2O4+ — CID 8755919

IUPAC[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(2)29-23(27)18-10-12-19(13-11-18)25-21(26)15-24-22(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-14,16,22,24H,15H2,1-2H3,(H,25,26)/p+1/t22-/m1/s1
InChIKeyRIQYMGKCXZRDBR-JOCHJYFZSA-O
MW393.46 g/mol
LogP3.14
Rot. Bonds8

About [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (PubChem CID 8755919) has the molecular formula C23H25N2O4+ and a molecular weight of 393.46 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
PubChem CID8755919
Molecular FormulaC23H25N2O4+
Molecular Weight393.46 g/mol
Exact Mass393.18
IUPAC Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(2)29-23(27)18-10-12-19(13-11-18)25-21(26)15-24-22(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-14,16,22,24H,15H2,1-2H3,(H,25,26)/p+1/t22-/m1/s1
InChIKeyRIQYMGKCXZRDBR-JOCHJYFZSA-O
XLogP3.14
TPSA85.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
CID 8756529
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8696199
[(1R)-1-(furan-2-yl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922088
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (CID 8755919) is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.
What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is CC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)cc1.
What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The InChIKey is RIQYMGKCXZRDBR-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H24N2O4/c1-16(2)29-23(27)18-10-12-19(13-11-18)25-21(26)15-24-22(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-14,16,22,24H,15H2,1-2H3,(H,25,26)/p+1/t22-/m1/s1.
What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium has a molecular weight of 393.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is sourced from PubChem (CID 8755919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).