2-(tetradecylamino)benzoic acid

C21H35NO2 — CID 15090293

IUPAC2-(tetradecylamino)benzoic acid
SMILESCCCCCCCCCCCCCCNc1ccccc1C(=O)O
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21(23)24/h13-14,16-17,22H,2-12,15,18H2,1H3,(H,23,24)
InChIKeyRUAVWQNDDYKONY-UHFFFAOYSA-N
MW333.52 g/mol
LogP6.50
Rot. Bonds15

About 2-(tetradecylamino)benzoic acid

2-(tetradecylamino)benzoic acid (PubChem CID 15090293) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-(tetradecylamino)benzoic acid.

Molecular Properties

Compound Name2-(tetradecylamino)benzoic acid
PubChem CID15090293
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name2-(tetradecylamino)benzoic acid
SMILESCCCCCCCCCCCCCCNc1ccccc1C(=O)O
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21(23)24/h13-14,16-17,22H,2-12,15,18H2,1H3,(H,23,24)
InChIKeyRUAVWQNDDYKONY-UHFFFAOYSA-N
XLogP6.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octadec-9-enylamino)benzoic acid
CID 54408716
2-methyl-3-(pentylamino)benzoic acid
CID 43737202
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
decane;phthalic acid
CID 158763790
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(2-hexadecylicosanoylamino)benzoic acid
CID 70149182
2-(hexadecylamino)phenol
CID 154256819
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051

Frequently Asked Questions

What is the IUPAC name of 2-(tetradecylamino)benzoic acid?
The IUPAC name of 2-(tetradecylamino)benzoic acid (CID 15090293) is 2-(tetradecylamino)benzoic acid.
What is the SMILES notation for 2-(tetradecylamino)benzoic acid?
The canonical SMILES for 2-(tetradecylamino)benzoic acid is CCCCCCCCCCCCCCNc1ccccc1C(=O)O.
What is the InChIKey of 2-(tetradecylamino)benzoic acid?
The InChIKey is RUAVWQNDDYKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21(23)24/h13-14,16-17,22H,2-12,15,18H2,1H3,(H,23,24).
What are the key properties of 2-(tetradecylamino)benzoic acid?
2-(tetradecylamino)benzoic acid has a molecular weight of 333.52 g/mol, XLogP of 6.50, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecylamino)benzoic acid is sourced from PubChem (CID 15090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).