N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

C19H19N3O4 — CID 163530284

IUPACN,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
SMILESCc1ccc(CNc2c(Nc3cccc(C(=O)N(C)C)c3)c(=O)c2=O)o1
InChIInChI=1S/C19H19N3O4/c1-11-7-8-14(26-11)10-20-15-16(18(24)17(15)23)21-13-6-4-5-12(9-13)19(25)22(2)3/h4-9,20-21H,10H2,1-3H3
InChIKeyDSKAVIYKJREJOS-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.24
Rot. Bonds6

About N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide (PubChem CID 163530284) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
PubChem CID163530284
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
SMILESCc1ccc(CNc2c(Nc3cccc(C(=O)N(C)C)c3)c(=O)c2=O)o1
InChIInChI=1S/C19H19N3O4/c1-11-7-8-14(26-11)10-20-15-16(18(24)17(15)23)21-13-6-4-5-12(9-13)19(25)22(2)3/h4-9,20-21H,10H2,1-3H3
InChIKeyDSKAVIYKJREJOS-UHFFFAOYSA-N
XLogP2.24
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
CID 70833686
3-[amino-[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142810453
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoic acid
CID 58736525
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide (CID 163530284) is N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide is Cc1ccc(CNc2c(Nc3cccc(C(=O)N(C)C)c3)c(=O)c2=O)o1.
What is the InChIKey of N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
The InChIKey is DSKAVIYKJREJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-7-8-14(26-11)10-20-15-16(18(24)17(15)23)21-13-6-4-5-12(9-13)19(25)22(2)3/h4-9,20-21H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide?
N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide is sourced from PubChem (CID 163530284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).