[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium

C21H29N2O5+ — CID 8796033

IUPAC[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCOc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c1
InChIInChI=1S/C21H28N2O5/c1-23(2)17(14-8-7-9-16(10-14)25-3)13-22-21(24)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m1/s1
InChIKeyPJZADXDHZKBDQT-QGZVFWFLSA-O
MW389.47 g/mol
LogP1.34
Rot. Bonds9

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

[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium (PubChem CID 8796033) has the molecular formula C21H29N2O5+ and a molecular weight of 389.47 g/mol. Its IUPAC name is [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
PubChem CID8796033
Molecular FormulaC21H29N2O5+
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCOc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c1
InChIInChI=1S/C21H28N2O5/c1-23(2)17(14-8-7-9-16(10-14)25-3)13-22-21(24)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m1/s1
InChIKeyPJZADXDHZKBDQT-QGZVFWFLSA-O
XLogP1.34
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795978
[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796400
[(1S)-2-[(4-chloro-3-nitrobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795950
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8781553
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium (CID 8796033) is [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium is COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c1.
What is the InChIKey of [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
The InChIKey is PJZADXDHZKBDQT-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H28N2O5/c1-23(2)17(14-8-7-9-16(10-14)25-3)13-22-21(24)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m1/s1.
What are the key properties of [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium?
[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium has a molecular weight of 389.47 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).