[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

C22H25N2O2+ — CID 8756001

IUPAC[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C22H24N2O2/c1-17(18-10-5-3-6-11-18)24(2)21(25)16-23-22(20-14-9-15-26-20)19-12-7-4-8-13-19/h3-15,17,22-23H,16H2,1-2H3/p+1/t17-,22+/m1/s1
InChIKeyWIUWIDPOVQRXRM-VGSWGCGISA-O
MW349.45 g/mol
LogP3.15
Rot. Bonds7

About [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (PubChem CID 8756001) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
PubChem CID8756001
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C22H24N2O2/c1-17(18-10-5-3-6-11-18)24(2)21(25)16-23-22(20-14-9-15-26-20)19-12-7-4-8-13-19/h3-15,17,22-23H,16H2,1-2H3/p+1/t17-,22+/m1/s1
InChIKeyWIUWIDPOVQRXRM-VGSWGCGISA-O
XLogP3.15
TPSA50.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756017
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756015
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756517
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755923
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8756545
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (CID 8756001) is [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is WIUWIDPOVQRXRM-VGSWGCGISA-O. The full InChI is InChI=1S/C22H24N2O2/c1-17(18-10-5-3-6-11-18)24(2)21(25)16-23-22(20-14-9-15-26-20)19-12-7-4-8-13-19/h3-15,17,22-23H,16H2,1-2H3/p+1/t17-,22+/m1/s1.
What are the key properties of [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 349.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8756001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).