[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium

C21H23N2O3+ — CID 8755577

IUPAC[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C21H22N2O3/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1
InChIKeySNIYYVWIXYPHMC-YWZLYKJASA-O
MW351.43 g/mol
LogP2.97
Rot. Bonds7

About [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium

[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium (PubChem CID 8755577) has the molecular formula C21H23N2O3+ and a molecular weight of 351.43 g/mol. Its IUPAC name is [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
PubChem CID8755577
Molecular FormulaC21H23N2O3+
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C21H22N2O3/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1
InChIKeySNIYYVWIXYPHMC-YWZLYKJASA-O
XLogP2.97
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132433
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium (CID 8755577) is [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium is COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is SNIYYVWIXYPHMC-YWZLYKJASA-O. The full InChI is InChI=1S/C21H22N2O3/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1.
What are the key properties of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 351.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8755577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).