2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid

C19H22N2O3 — CID 126837218

IUPAC2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
SMILESCCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-21(4-2)15-11-9-14(10-12-15)18(22)20-17-8-6-5-7-16(17)19(23)24/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyDAVBPVCRQDTDMM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.87
Rot. Bonds7

About 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid

2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid (PubChem CID 126837218) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
PubChem CID126837218
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
SMILESCCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-21(4-2)15-11-9-14(10-12-15)18(22)20-17-8-6-5-7-16(17)19(23)24/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyDAVBPVCRQDTDMM-UHFFFAOYSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
2-[4-(diethylamino)anilino]benzoic acid
CID 63539200
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
2-[[4-[prop-2-enyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142963917
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
CID 45340807
4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 56500245
5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
CID 90958104
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid (CID 126837218) is 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid is CCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is DAVBPVCRQDTDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-21(4-2)15-11-9-14(10-12-15)18(22)20-17-8-6-5-7-16(17)19(23)24/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid?
2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 126837218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).