4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid

C19H22N2O3 — CID 154868381

IUPAC4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1C(=O)N(CCN(C)C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-13-15(19(23)24)9-10-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyLUSOFKDFTRJTCX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.90
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid

4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid (PubChem CID 154868381) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid
PubChem CID154868381
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1C(=O)N(CCN(C)C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-13-15(19(23)24)9-10-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyLUSOFKDFTRJTCX-UHFFFAOYSA-N
XLogP2.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
CID 120645559
N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide
CID 75418468
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
CID 4511439
N-[2-(dimethylamino)ethyl]-3,4-dinitro-N-phenylbenzamide
CID 54488219
4-[methyl(phenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 4915032
2-methyl-3-(N-(2-methylbenzoyl)anilino)propanoic acid
CID 82321588
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
3-bromo-N-[2-(N-(3-bromo-4-tert-butylbenzoyl)anilino)ethyl]-4-tert-butyl-N-phenylbenzamide
CID 3893381
N,2-dimethyl-N-phenylbenzamide
CID 5222383

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid (CID 154868381) is 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1C(=O)N(CCN(C)C)c1ccccc1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid?
The InChIKey is LUSOFKDFTRJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-13-15(19(23)24)9-10-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,24).
What are the key properties of 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid?
4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid is sourced from PubChem (CID 154868381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).