[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium

C24H27N2O3+ — CID 8781553

IUPAC[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)[NH+](C)C
InChIInChI=1S/C24H26N2O3/c1-26(2)22(21-14-7-8-15-23(21)28-3)17-25-24(27)18-10-9-13-20(16-18)29-19-11-5-4-6-12-19/h4-16,22H,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1
InChIKeyZZHUJUUNTJQZDR-JOCHJYFZSA-O
MW391.49 g/mol
LogP3.10
Rot. Bonds8

About [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium

[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium (PubChem CID 8781553) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
PubChem CID8781553
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Name[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)[NH+](C)C
InChIInChI=1S/C24H26N2O3/c1-26(2)22(21-14-7-8-15-23(21)28-3)17-25-24(27)18-10-9-13-20(16-18)29-19-11-5-4-6-12-19/h4-16,22H,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1
InChIKeyZZHUJUUNTJQZDR-JOCHJYFZSA-O
XLogP3.10
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946
[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
CID 8504417
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796033
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium (CID 8781553) is [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium is COc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)[NH+](C)C.
What is the InChIKey of [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The InChIKey is ZZHUJUUNTJQZDR-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-26(2)22(21-14-7-8-15-23(21)28-3)17-25-24(27)18-10-9-13-20(16-18)29-19-11-5-4-6-12-19/h4-16,22H,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1.
What are the key properties of [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium has a molecular weight of 391.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8781553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).