3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid

C17H18N2O3 — CID 24695586

IUPAC3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-5-13(17(21)22)10-15(11)18-16(20)12-6-8-14(9-7-12)19(2)3/h4-10H,1-3H3,(H,18,20)(H,21,22)
InChIKeyZNGVNJKQBVGRIT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.01
Rot. Bonds4

About 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid

3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid (PubChem CID 24695586) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
PubChem CID24695586
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-5-13(17(21)22)10-15(11)18-16(20)12-6-8-14(9-7-12)19(2)3/h4-10H,1-3H3,(H,18,20)(H,21,22)
InChIKeyZNGVNJKQBVGRIT-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
CID 103144355
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
3-[3-(dimethylamino)anilino]-4-methylbenzoic acid
CID 82535979
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid (CID 24695586) is 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid?
The InChIKey is ZNGVNJKQBVGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-4-5-13(17(21)22)10-15(11)18-16(20)12-6-8-14(9-7-12)19(2)3/h4-10H,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid?
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 24695586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).