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

C21H23N2O3+ — CID 8501946

IUPAC[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccco1
InChIInChI=1S/C21H22N2O3/c1-23(2)19(20-12-7-13-25-20)15-22-21(24)16-8-6-11-18(14-16)26-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyGNISNQHGCGJBSF-IBGZPJMESA-O
MW351.43 g/mol
LogP2.69
Rot. Bonds7

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

[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium (PubChem CID 8501946) has the molecular formula C21H23N2O3+ and a molecular weight of 351.43 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
PubChem CID8501946
Molecular FormulaC21H23N2O3+
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccco1
InChIInChI=1S/C21H22N2O3/c1-23(2)19(20-12-7-13-25-20)15-22-21(24)16-8-6-11-18(14-16)26-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyGNISNQHGCGJBSF-IBGZPJMESA-O
XLogP2.69
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8781553
dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
CID 8504417
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
[(1R)-1-(furan-2-yl)-2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]-dimethylazanium
CID 7831147
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7831812
[(1S)-1-(furan-2-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-dimethylazanium
CID 8019423
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenoxybenzoate
CID 9081631

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium (CID 8501946) is [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccco1.
What is the InChIKey of [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
The InChIKey is GNISNQHGCGJBSF-IBGZPJMESA-O. The full InChI is InChI=1S/C21H22N2O3/c1-23(2)19(20-12-7-13-25-20)15-22-21(24)16-8-6-11-18(14-16)26-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium?
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium has a molecular weight of 351.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8501946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).