[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium

C18H25N2O2+ — CID 8755033

IUPAC[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
SMILESCC(C)CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/p+1/t18-/m0/s1
InChIKeyKDZFSYIHAZFVSD-SFHVURJKSA-O
MW301.41 g/mol
LogP2.09
Rot. Bonds8

About [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium

[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium (PubChem CID 8755033) has the molecular formula C18H25N2O2+ and a molecular weight of 301.41 g/mol. Its IUPAC name is [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
PubChem CID8755033
Molecular FormulaC18H25N2O2+
Molecular Weight301.41 g/mol
Exact Mass301.19
IUPAC Name[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
SMILESCC(C)CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/p+1/t18-/m0/s1
InChIKeyKDZFSYIHAZFVSD-SFHVURJKSA-O
XLogP2.09
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756517
[(R)-furan-2-yl(phenyl)methyl]-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]azanium
CID 8756205
[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8756001
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756015
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756017
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755693
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8756495
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755923

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium?
The IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium (CID 8755033) is [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium is CC(C)CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium?
The InChIKey is KDZFSYIHAZFVSD-SFHVURJKSA-O. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/p+1/t18-/m0/s1.
What are the key properties of [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium?
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium has a molecular weight of 301.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).