2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid

C20H20N2O7 — CID 159071546

IUPAC2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
SMILESCNC(=O)c1cc(C(=O)O)c(C(=O)Nc2cc(C)c(C)cc2OC)cc1C(=O)O
InChIInChI=1S/C20H20N2O7/c1-9-5-15(16(29-4)6-10(9)2)22-18(24)12-8-13(19(25)26)11(17(23)21-3)7-14(12)20(27)28/h5-8H,1-4H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
InChIKeyUCVPUDFPQBHPJU-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.32
Rot. Bonds6

About 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid

2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid (PubChem CID 159071546) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
PubChem CID159071546
Molecular FormulaC20H20N2O7
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
SMILESCNC(=O)c1cc(C(=O)O)c(C(=O)Nc2cc(C)c(C)cc2OC)cc1C(=O)O
InChIInChI=1S/C20H20N2O7/c1-9-5-15(16(29-4)6-10(9)2)22-18(24)12-8-13(19(25)26)11(17(23)21-3)7-14(12)20(27)28/h5-8H,1-4H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
InChIKeyUCVPUDFPQBHPJU-UHFFFAOYSA-N
XLogP2.32
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(2-methoxy-4,5-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776827
2-(2-methoxy-4,5-dimethylanilino)-2-methylpropanoic acid
CID 115127742
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid?
The IUPAC name of 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid (CID 159071546) is 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid.
What is the SMILES notation for 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid?
The canonical SMILES for 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid is CNC(=O)c1cc(C(=O)O)c(C(=O)Nc2cc(C)c(C)cc2OC)cc1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid?
The InChIKey is UCVPUDFPQBHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-9-5-15(16(29-4)6-10(9)2)22-18(24)12-8-13(19(25)26)11(17(23)21-3)7-14(12)20(27)28/h5-8H,1-4H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28).
What are the key properties of 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid?
2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid has a molecular weight of 400.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid is sourced from PubChem (CID 159071546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).