2-(dipropylamino)-5-(propanoylamino)benzoic acid

C16H24N2O3 — CID 50807492

IUPAC2-(dipropylamino)-5-(propanoylamino)benzoic acid
SMILESCCCN(CCC)c1ccc(NC(=O)CC)cc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-9-18(10-5-2)14-8-7-12(17-15(19)6-3)11-13(14)16(20)21/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRZZBUJCHKZFWNW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.36
Rot. Bonds8

About 2-(dipropylamino)-5-(propanoylamino)benzoic acid

2-(dipropylamino)-5-(propanoylamino)benzoic acid (PubChem CID 50807492) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(dipropylamino)-5-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-5-(propanoylamino)benzoic acid
PubChem CID50807492
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(dipropylamino)-5-(propanoylamino)benzoic acid
SMILESCCCN(CCC)c1ccc(NC(=O)CC)cc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-9-18(10-5-2)14-8-7-12(17-15(19)6-3)11-13(14)16(20)21/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRZZBUJCHKZFWNW-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.36
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-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807457
2-(dipropylamino)-5-(thiophene-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060548
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-(dipropylamino)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055104
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055131
2-(dipropylamino)-5-[(3-fluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055120
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-(dipropylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055129
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
2-methyl-5-[[5-oxo-5-(propylamino)pentanoyl]amino]benzoic acid
CID 119255213
2-bromo-4-(dipropylamino)-3-fluorobenzoic acid
CID 107540106

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-(propanoylamino)benzoic acid?
The IUPAC name of 2-(dipropylamino)-5-(propanoylamino)benzoic acid (CID 50807492) is 2-(dipropylamino)-5-(propanoylamino)benzoic acid.
What is the SMILES notation for 2-(dipropylamino)-5-(propanoylamino)benzoic acid?
The canonical SMILES for 2-(dipropylamino)-5-(propanoylamino)benzoic acid is CCCN(CCC)c1ccc(NC(=O)CC)cc1C(=O)O.
What is the InChIKey of 2-(dipropylamino)-5-(propanoylamino)benzoic acid?
The InChIKey is RZZBUJCHKZFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-9-18(10-5-2)14-8-7-12(17-15(19)6-3)11-13(14)16(20)21/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-(dipropylamino)-5-(propanoylamino)benzoic acid?
2-(dipropylamino)-5-(propanoylamino)benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-(propanoylamino)benzoic acid is sourced from PubChem (CID 50807492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).