5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide

C13H17N3O4 — CID 103028794

IUPAC5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
SMILESCOC(C)(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H17N3O4/c1-13(2,20-3)12(19)16-9-5-7(10(14)17)4-8(6-9)11(15)18/h4-6H,1-3H3,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyBWGNTPVXKKNHAW-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.25
Rot. Bonds5

About 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide

5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide (PubChem CID 103028794) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
PubChem CID103028794
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
SMILESCOC(C)(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H17N3O4/c1-13(2,20-3)12(19)16-9-5-7(10(14)17)4-8(6-9)11(15)18/h4-6H,1-3H3,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyBWGNTPVXKKNHAW-UHFFFAOYSA-N
XLogP0.25
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
CID 113218225
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
CID 55096712

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide (CID 103028794) is 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide is COC(C)(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide?
The InChIKey is BWGNTPVXKKNHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(2,20-3)12(19)16-9-5-7(10(14)17)4-8(6-9)11(15)18/h4-6H,1-3H3,(H2,14,17)(H2,15,18)(H,16,19).
What are the key properties of 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide?
5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 103028794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).