2-[2-(dipropylamino)-2-oxoethyl]benzoic acid

C15H21NO3 — CID 112568579

IUPAC2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
SMILESCCCN(CCC)C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-9-16(10-4-2)14(17)11-12-7-5-6-8-13(12)15(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyHWJDOFFWQDSSHN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid

2-[2-(dipropylamino)-2-oxoethyl]benzoic acid (PubChem CID 112568579) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
PubChem CID112568579
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
SMILESCCCN(CCC)C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-9-16(10-4-2)14(17)11-12-7-5-6-8-13(12)15(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyHWJDOFFWQDSSHN-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
2-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]benzoic acid
CID 104601568
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
2-(2-oxobutyl)benzoic acid
CID 12758327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid (CID 112568579) is 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid is CCCN(CCC)C(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid?
The InChIKey is HWJDOFFWQDSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-9-16(10-4-2)14(17)11-12-7-5-6-8-13(12)15(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid?
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 112568579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).