2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide

C15H17NO5 — CID 156790495

IUPAC2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
SMILESCC(C)N(C(=O)c1cccc2oc(=O)c(=O)oc12)C(C)C
InChIInChI=1S/C15H17NO5/c1-8(2)16(9(3)4)13(17)10-6-5-7-11-12(10)21-15(19)14(18)20-11/h5-9H,1-4H3
InChIKeyZYGQQLCQSQFLAN-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.01
Rot. Bonds3

About 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide

2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide (PubChem CID 156790495) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
PubChem CID156790495
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
SMILESCC(C)N(C(=O)c1cccc2oc(=O)c(=O)oc12)C(C)C
InChIInChI=1S/C15H17NO5/c1-8(2)16(9(3)4)13(17)10-6-5-7-11-12(10)21-15(19)14(18)20-11/h5-9H,1-4H3
InChIKeyZYGQQLCQSQFLAN-UHFFFAOYSA-N
XLogP2.01
TPSA80.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
1-N,1-N,3-N,3-N-tetra(propan-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxamide
CID 102082053
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
CID 154706946
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide
CID 102350895
N'-methylsulfonyl-2-oxo-N,N-di(propan-2-yl)chromene-3-carboximidamide
CID 177464171

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide?
The IUPAC name of 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide (CID 156790495) is 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide is CC(C)N(C(=O)c1cccc2oc(=O)c(=O)oc12)C(C)C.
What is the InChIKey of 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide?
The InChIKey is ZYGQQLCQSQFLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-8(2)16(9(3)4)13(17)10-6-5-7-11-12(10)21-15(19)14(18)20-11/h5-9H,1-4H3.
What are the key properties of 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide?
2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 156790495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).