4-[butyl-(4-methylbenzoyl)amino]benzoic acid

C19H21NO3 — CID 20787968

IUPAC4-[butyl-(4-methylbenzoyl)amino]benzoic acid
SMILESCCCCN(C(=O)c1ccc(C)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-3-4-13-20(17-11-9-16(10-12-17)19(22)23)18(21)15-7-5-14(2)6-8-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyVGDGLWKTMYBQJU-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.14
Rot. Bonds6

About 4-[butyl-(4-methylbenzoyl)amino]benzoic acid

4-[butyl-(4-methylbenzoyl)amino]benzoic acid (PubChem CID 20787968) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[butyl-(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[butyl-(4-methylbenzoyl)amino]benzoic acid
PubChem CID20787968
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-[butyl-(4-methylbenzoyl)amino]benzoic acid
SMILESCCCCN(C(=O)c1ccc(C)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-3-4-13-20(17-11-9-16(10-12-17)19(22)23)18(21)15-7-5-14(2)6-8-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyVGDGLWKTMYBQJU-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615

Frequently Asked Questions

What is the IUPAC name of 4-[butyl-(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[butyl-(4-methylbenzoyl)amino]benzoic acid (CID 20787968) is 4-[butyl-(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[butyl-(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[butyl-(4-methylbenzoyl)amino]benzoic acid is CCCCN(C(=O)c1ccc(C)cc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[butyl-(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is VGDGLWKTMYBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-4-13-20(17-11-9-16(10-12-17)19(22)23)18(21)15-7-5-14(2)6-8-15/h5-12H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[butyl-(4-methylbenzoyl)amino]benzoic acid?
4-[butyl-(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 311.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl-(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 20787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).