3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C17H22N4O4 — CID 44626319

IUPAC3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
InChIKeyOXXWFUQKMJSKBO-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.10
Rot. Bonds7

About 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 44626319) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID44626319
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
InChIKeyOXXWFUQKMJSKBO-UHFFFAOYSA-N
XLogP1.10
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 44626319) is 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.
What is the InChIKey of 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is OXXWFUQKMJSKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3.
What are the key properties of 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 44626319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).