[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium

C17H19N2O3+ — CID 7831812

IUPAC[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C17H18N2O3/c1-19(2)13(15-8-5-9-21-15)11-18-17(20)16-10-12-6-3-4-7-14(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyZGVQSQNUUWRKKF-ZDUSSCGKSA-O
MW299.35 g/mol
LogP1.64
Rot. Bonds5

About [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium

[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 7831812) has the molecular formula C17H19N2O3+ and a molecular weight of 299.35 g/mol. Its IUPAC name is [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID7831812
Molecular FormulaC17H19N2O3+
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C17H18N2O3/c1-19(2)13(15-8-5-9-21-15)11-18-17(20)16-10-12-6-3-4-7-14(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyZGVQSQNUUWRKKF-ZDUSSCGKSA-O
XLogP1.64
TPSA59.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
[(1R)-1-(furan-2-yl)-2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]-dimethylazanium
CID 7831147
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium (CID 7831812) is [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccco1.
What is the InChIKey of [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is ZGVQSQNUUWRKKF-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H18N2O3/c1-19(2)13(15-8-5-9-21-15)11-18-17(20)16-10-12-6-3-4-7-14(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 299.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 7831812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).