[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium

C22H24N3O3+ — CID 8937893

IUPAC[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-25(2)15-19(16-7-4-3-5-8-16)24-21(26)17-10-12-18(13-11-17)23-22(27)20-9-6-14-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1
InChIKeyYGIQUZPSDQPPOL-LJQANCHMSA-O
MW378.45 g/mol
LogP2.15
Rot. Bonds7

About [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium

[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937893) has the molecular formula C22H24N3O3+ and a molecular weight of 378.45 g/mol. Its IUPAC name is [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8937893
Molecular FormulaC22H24N3O3+
Molecular Weight378.45 g/mol
Exact Mass378.18
IUPAC Name[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-25(2)15-19(16-7-4-3-5-8-16)24-21(26)17-10-12-18(13-11-17)23-22(27)20-9-6-14-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1
InChIKeyYGIQUZPSDQPPOL-LJQANCHMSA-O
XLogP2.15
TPSA75.78 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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium with MolForge

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Related Compounds

[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
N-[4-[1-(2-bromophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 24544718

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium (CID 8937893) is [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1.
What is the InChIKey of [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is YGIQUZPSDQPPOL-LJQANCHMSA-O. The full InChI is InChI=1S/C22H23N3O3/c1-25(2)15-19(16-7-4-3-5-8-16)24-21(26)17-10-12-18(13-11-17)23-22(27)20-9-6-14-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1.
What are the key properties of [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 378.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).