[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium

C23H26N3O3+ — CID 8922795

IUPAC[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C23H25N3O3/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27)/p+1/t17-/m1/s1
InChIKeyQDDDTXTUBADNMD-QGZVFWFLSA-O
MW392.48 g/mol
LogP2.52
Rot. Bonds9

About [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium

[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium (PubChem CID 8922795) has the molecular formula C23H26N3O3+ and a molecular weight of 392.48 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
PubChem CID8922795
Molecular FormulaC23H26N3O3+
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C23H25N3O3/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27)/p+1/t17-/m1/s1
InChIKeyQDDDTXTUBADNMD-QGZVFWFLSA-O
XLogP2.52
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]furan-2-carboxamide
CID 35743644
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919194
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918823
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17453541

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium (CID 8922795) is [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium?
The InChIKey is QDDDTXTUBADNMD-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H25N3O3/c1-17(21-12-7-15-29-21)25-16-22(27)26-20-11-6-5-10-19(20)23(28)24-14-13-18-8-3-2-4-9-18/h2-12,15,17,25H,13-14,16H2,1H3,(H,24,28)(H,26,27)/p+1/t17-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium?
[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium has a molecular weight of 392.48 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium is sourced from PubChem (CID 8922795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).