2-(dodecylcarbamoylamino)benzoic acid

C20H32N2O3 — CID 150660429

IUPAC2-(dodecylcarbamoylamino)benzoic acid
SMILESCCCCCCCCCCCCNC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-21-20(25)22-18-15-12-11-14-17(18)19(23)24/h11-12,14-15H,2-10,13,16H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJDTXUFQAMKNQNJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.43
Rot. Bonds13

About 2-(dodecylcarbamoylamino)benzoic acid

2-(dodecylcarbamoylamino)benzoic acid (PubChem CID 150660429) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(dodecylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(dodecylcarbamoylamino)benzoic acid
PubChem CID150660429
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-(dodecylcarbamoylamino)benzoic acid
SMILESCCCCCCCCCCCCNC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-21-20(25)22-18-15-12-11-14-17(18)19(23)24/h11-12,14-15H,2-10,13,16H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJDTXUFQAMKNQNJ-UHFFFAOYSA-N
XLogP5.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(tetradecylamino)benzoic acid
CID 15090293
2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-dodecyl-3-phenylurea
CID 3697946
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
2-(2-hexadecylicosanoylamino)benzoic acid
CID 70149182
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]benzoic acid
CID 106039159

Frequently Asked Questions

What is the IUPAC name of 2-(dodecylcarbamoylamino)benzoic acid?
The IUPAC name of 2-(dodecylcarbamoylamino)benzoic acid (CID 150660429) is 2-(dodecylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-(dodecylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-(dodecylcarbamoylamino)benzoic acid is CCCCCCCCCCCCNC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(dodecylcarbamoylamino)benzoic acid?
The InChIKey is JDTXUFQAMKNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-21-20(25)22-18-15-12-11-14-17(18)19(23)24/h11-12,14-15H,2-10,13,16H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 2-(dodecylcarbamoylamino)benzoic acid?
2-(dodecylcarbamoylamino)benzoic acid has a molecular weight of 348.49 g/mol, XLogP of 5.43, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylcarbamoylamino)benzoic acid is sourced from PubChem (CID 150660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).