[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C23H23N2O3+ — CID 2684318

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccccc1)oc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-15(16-8-4-3-5-9-16)24-14-23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/p+1/t15-/m1/s1
InChIKeyXEQYLTQNORFNGB-OAHLLOKOSA-O
MW375.45 g/mol
LogP3.86
Rot. Bonds6

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 2684318) has the molecular formula C23H23N2O3+ and a molecular weight of 375.45 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID2684318
Molecular FormulaC23H23N2O3+
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccccc1)oc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-15(16-8-4-3-5-9-16)24-14-23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/p+1/t15-/m1/s1
InChIKeyXEQYLTQNORFNGB-OAHLLOKOSA-O
XLogP3.86
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
CID 9377018
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
CID 72686859
3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120326
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 2684318) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is COc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccccc1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is XEQYLTQNORFNGB-OAHLLOKOSA-O. The full InChI is InChI=1S/C23H22N2O3/c1-15(16-8-4-3-5-9-16)24-14-23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/p+1/t15-/m1/s1.
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 375.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 2684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).