2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid

C17H18N2O3 — CID 43823080

IUPAC2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
SMILESCN(C)c1ccc(C(=O)N(C)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18N2O3/c1-18(2)13-10-8-12(9-11-13)16(20)19(3)15-7-5-4-6-14(15)17(21)22/h4-11H,1-3H3,(H,21,22)
InChIKeyCCCLPKKZBJWIFO-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid

2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid (PubChem CID 43823080) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
PubChem CID43823080
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
SMILESCN(C)c1ccc(C(=O)N(C)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18N2O3/c1-18(2)13-10-8-12(9-11-13)16(20)19(3)15-7-5-4-6-14(15)17(21)22/h4-11H,1-3H3,(H,21,22)
InChIKeyCCCLPKKZBJWIFO-UHFFFAOYSA-N
XLogP2.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-(dimethylamino)benzoic acid;ethene
CID 157119009
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid (CID 43823080) is 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid is CN(C)c1ccc(C(=O)N(C)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid?
The InChIKey is CCCLPKKZBJWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18(2)13-10-8-12(9-11-13)16(20)19(3)15-7-5-4-6-14(15)17(21)22/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid?
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid is sourced from PubChem (CID 43823080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).