[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C19H26N3O3+ — CID 8620955

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccco2)c1
InChIInChI=1S/C19H25N3O3/c1-4-22(5-2)19(24)15-8-6-9-16(12-15)20-18(23)14-21(3)13-17-10-7-11-25-17/h6-12H,4-5,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyGWNYMMRVRXHBJZ-UHFFFAOYSA-O
MW344.44 g/mol
LogP1.41
Rot. Bonds8

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 8620955) has the molecular formula C19H26N3O3+ and a molecular weight of 344.44 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID8620955
Molecular FormulaC19H26N3O3+
Molecular Weight344.44 g/mol
Exact Mass344.20
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccco2)c1
InChIInChI=1S/C19H25N3O3/c1-4-22(5-2)19(24)15-8-6-9-16(12-15)20-18(23)14-21(3)13-17-10-7-11-25-17/h6-12H,4-5,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyGWNYMMRVRXHBJZ-UHFFFAOYSA-O
XLogP1.41
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804522
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250391
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 7995548
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 8620955) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is CCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccco2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is GWNYMMRVRXHBJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O3/c1-4-22(5-2)19(24)15-8-6-9-16(12-15)20-18(23)14-21(3)13-17-10-7-11-25-17/h6-12H,4-5,13-14H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 344.44 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 8620955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).