[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium

C25H27N2O2+ — CID 8773835

IUPAC[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-17-12-13-18(2)22(16-17)27-25(28)24(19-8-4-3-5-9-19)26-21-14-15-29-23-11-7-6-10-20(21)23/h3-13,16,21,24,26H,14-15H2,1-2H3,(H,27,28)/p+1/t21-,24-/m1/s1
InChIKeyHUHKWYUANUALIA-ZJSXRUAMSA-O
MW387.50 g/mol
LogP4.07
Rot. Bonds5

About [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium

[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8773835) has the molecular formula C25H27N2O2+ and a molecular weight of 387.50 g/mol. Its IUPAC name is [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
PubChem CID8773835
Molecular FormulaC25H27N2O2+
Molecular Weight387.50 g/mol
Exact Mass387.21
IUPAC Name[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-17-12-13-18(2)22(16-17)27-25(28)24(19-8-4-3-5-9-19)26-21-14-15-29-23-11-7-6-10-20(21)23/h3-13,16,21,24,26H,14-15H2,1-2H3,(H,27,28)/p+1/t21-,24-/m1/s1
InChIKeyHUHKWYUANUALIA-ZJSXRUAMSA-O
XLogP4.07
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium
CID 8773845
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8773859
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
CID 8513918
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861450
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861454
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9361176
(2S)-2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8773904
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2587755
(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide
CID 8009326
(2R)-N-(2,5-dimethylphenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-2-phenylacetamide
CID 8010689
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium (CID 8773835) is [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium is Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1.
What is the InChIKey of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is HUHKWYUANUALIA-ZJSXRUAMSA-O. The full InChI is InChI=1S/C25H26N2O2/c1-17-12-13-18(2)22(16-17)27-25(28)24(19-8-4-3-5-9-19)26-21-14-15-29-23-11-7-6-10-20(21)23/h3-13,16,21,24,26H,14-15H2,1-2H3,(H,27,28)/p+1/t21-,24-/m1/s1.
What are the key properties of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium?
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 387.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).