2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid

C21H26N2O3 — CID 50807457

IUPAC2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
SMILESCCCN(CCC)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-4-12-23(13-5-2)19-11-10-16(14-18(19)21(25)26)22-20(24)17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyPFNAZMSAFRUDDC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.57
Rot. Bonds8

About 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid

2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid (PubChem CID 50807457) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
PubChem CID50807457
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
SMILESCCCN(CCC)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-4-12-23(13-5-2)19-11-10-16(14-18(19)21(25)26)22-20(24)17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyPFNAZMSAFRUDDC-UHFFFAOYSA-N
XLogP4.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-(dipropylamino)-5-(propanoylamino)benzoic acid
CID 50807492
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-(dipropylamino)-5-(thiophene-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060548
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
2-[butyl(thiophen-2-ylmethyl)amino]-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 50807110
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[benzyl(ethyl)amino]-5-[(3-methylbenzoyl)amino]benzoic acid
CID 50807406
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid (CID 50807457) is 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid is CCCN(CCC)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)O.
What is the InChIKey of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid?
The InChIKey is PFNAZMSAFRUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-12-23(13-5-2)19-11-10-16(14-18(19)21(25)26)22-20(24)17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid?
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid has a molecular weight of 354.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 50807457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).