[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium

C22H31N2O4+ — CID 8796400

IUPAC[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCCc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)cc1
InChIInChI=1S/C22H30N2O4/c1-7-15-8-10-16(11-9-15)18(24(2)3)14-23-22(25)17-12-19(26-4)21(28-6)20(13-17)27-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/p+1/t18-/m0/s1
InChIKeyCTFIBQWYLLDSHI-SFHVURJKSA-O
MW387.50 g/mol
LogP1.89
Rot. Bonds9

About [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium

[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium (PubChem CID 8796400) has the molecular formula C22H31N2O4+ and a molecular weight of 387.50 g/mol. Its IUPAC name is [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
PubChem CID8796400
Molecular FormulaC22H31N2O4+
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCCc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)cc1
InChIInChI=1S/C22H30N2O4/c1-7-15-8-10-16(11-9-15)18(24(2)3)14-23-22(25)17-12-19(26-4)21(28-6)20(13-17)27-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/p+1/t18-/m0/s1
InChIKeyCTFIBQWYLLDSHI-SFHVURJKSA-O
XLogP1.89
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796033
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
[(1R)-2-[(4-butoxybenzoyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
CID 2564831
N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55394738
[(1R)-2-[(4-chloro-3-nitrobenzoyl)amino]-1-(4-ethylphenyl)ethyl]-dimethylazanium
CID 8796362
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916175
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
[(1S)-1-(4-ethylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethylazanium
CID 8796515

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium (CID 8796400) is [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium is CCc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The InChIKey is CTFIBQWYLLDSHI-SFHVURJKSA-O. The full InChI is InChI=1S/C22H30N2O4/c1-7-15-8-10-16(11-9-15)18(24(2)3)14-23-22(25)17-12-19(26-4)21(28-6)20(13-17)27-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/p+1/t18-/m0/s1.
What are the key properties of [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium has a molecular weight of 387.50 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8796400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).