4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

C26H32N2O6 — CID 144585610

IUPAC4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
SMILESCCC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)CC)cc2)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C26H32N2O6/c1-7-25(3,4)15-9-11-16(12-10-15)27-21(29)17-13-18(22(30)28-26(5,6)8-2)20(24(33)34)14-19(17)23(31)32/h9-14H,7-8H2,1-6H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKeyNRLIHZFATHZILR-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.94
Rot. Bonds9

About 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid (PubChem CID 144585610) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
PubChem CID144585610
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
SMILESCCC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)CC)cc2)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C26H32N2O6/c1-7-25(3,4)15-9-11-16(12-10-15)27-21(29)17-13-18(22(30)28-26(5,6)8-2)20(24(33)34)14-19(17)23(31)32/h9-14H,7-8H2,1-6H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKeyNRLIHZFATHZILR-UHFFFAOYSA-N
XLogP4.94
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid with MolForge

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Related Compounds

5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 60533340
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
CID 121366725
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
5-[3-carboxy-4-[[4-[4-(2-methylbutan-2-ylamino)phenoxy]phenyl]carbamoyl]phenoxy]-2-(2,2-dimethylbutanoyl)benzoic acid
CID 71088545
dimethyl 2-(2-methylbutan-2-ylcarbamoyl)-4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]carbamoyl]cyclobutane-1,3-dicarboxylate
CID 122577582
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid (CID 144585610) is 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid is CCC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)CC)cc2)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid?
The InChIKey is NRLIHZFATHZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-7-25(3,4)15-9-11-16(12-10-15)27-21(29)17-13-18(22(30)28-26(5,6)8-2)20(24(33)34)14-19(17)23(31)32/h9-14H,7-8H2,1-6H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34).
What are the key properties of 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid?
4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid has a molecular weight of 468.55 g/mol, XLogP of 4.94, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 144585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).