[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium

C21H28BrN2O+ — CID 9263599

IUPAC[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
SMILESCCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C21H27BrN2O/c1-4-15-8-7-9-16(5-2)21(15)24-20(25)14-23-19(6-3)17-10-12-18(22)13-11-17/h7-13,19,23H,4-6,14H2,1-3H3,(H,24,25)/p+1/t19-/m1/s1
InChIKeyQVBFZZXGRPHLPS-LJQANCHMSA-O
MW404.37 g/mol
LogP4.23
Rot. Bonds8

About [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium

[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium (PubChem CID 9263599) has the molecular formula C21H28BrN2O+ and a molecular weight of 404.37 g/mol. Its IUPAC name is [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
PubChem CID9263599
Molecular FormulaC21H28BrN2O+
Molecular Weight404.37 g/mol
Exact Mass403.14
IUPAC Name[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
SMILESCCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C21H27BrN2O/c1-4-15-8-7-9-16(5-2)21(15)24-20(25)14-23-19(6-3)17-10-12-18(22)13-11-17/h7-13,19,23H,4-6,14H2,1-3H3,(H,24,25)/p+1/t19-/m1/s1
InChIKeyQVBFZZXGRPHLPS-LJQANCHMSA-O
XLogP4.23
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(4-bromophenyl)propyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9263737
[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9263465
[(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9263642
[(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263413
[(1R)-1-(4-bromophenyl)propyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263710
[(1R)-1-(4-bromophenyl)propyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710771
[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9263277
[(1S)-1-(4-bromophenyl)propyl]-[2-(butylcarbamoylamino)-2-oxoethyl]azanium
CID 8643776
[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8643284
[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8858951
[(1S)-1-(4-bromophenyl)propyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348692
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium (CID 9263599) is [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium is CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1.
What is the InChIKey of [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium?
The InChIKey is QVBFZZXGRPHLPS-LJQANCHMSA-O. The full InChI is InChI=1S/C21H27BrN2O/c1-4-15-8-7-9-16(5-2)21(15)24-20(25)14-23-19(6-3)17-10-12-18(22)13-11-17/h7-13,19,23H,4-6,14H2,1-3H3,(H,24,25)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium?
[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium has a molecular weight of 404.37 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9263599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).