[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C22H24N3O3+ — CID 8696221

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(22(27)25-19-12-10-18(11-13-19)24-16(2)26)23-21(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-15,21,23H,1-2H3,(H,24,26)(H,25,27)/p+1/t15-,21-/m1/s1
InChIKeyMTZCKQCZKPMVGF-QVKFZJNVSA-O
MW378.45 g/mol
LogP2.92
Rot. Bonds7

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8696221) has the molecular formula C22H24N3O3+ and a molecular weight of 378.45 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8696221
Molecular FormulaC22H24N3O3+
Molecular Weight378.45 g/mol
Exact Mass378.18
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(22(27)25-19-12-10-18(11-13-19)24-16(2)26)23-21(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-15,21,23H,1-2H3,(H,24,26)(H,25,27)/p+1/t15-,21-/m1/s1
InChIKeyMTZCKQCZKPMVGF-QVKFZJNVSA-O
XLogP2.92
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755427
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920161

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8696221) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccco2)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is MTZCKQCZKPMVGF-QVKFZJNVSA-O. The full InChI is InChI=1S/C22H23N3O3/c1-15(22(27)25-19-12-10-18(11-13-19)24-16(2)26)23-21(20-9-6-14-28-20)17-7-4-3-5-8-17/h3-15,21,23H,1-2H3,(H,24,26)(H,25,27)/p+1/t15-,21-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 378.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8696221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).