5-amino-2-[methyl(tetradecyl)amino]benzoic acid

C22H38N2O2 — CID 21388724

IUPAC5-amino-2-[methyl(tetradecyl)amino]benzoic acid
SMILESCCCCCCCCCCCCCCN(C)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C22H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24(2)21-16-15-19(23)18-20(21)22(25)26/h15-16,18H,3-14,17,23H2,1-2H3,(H,25,26)
InChIKeyBQSSTWGCBBPGDP-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.10
Rot. Bonds15

About 5-amino-2-[methyl(tetradecyl)amino]benzoic acid

5-amino-2-[methyl(tetradecyl)amino]benzoic acid (PubChem CID 21388724) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 5-amino-2-[methyl(tetradecyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[methyl(tetradecyl)amino]benzoic acid
PubChem CID21388724
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name5-amino-2-[methyl(tetradecyl)amino]benzoic acid
SMILESCCCCCCCCCCCCCCN(C)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C22H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24(2)21-16-15-19(23)18-20(21)22(25)26/h15-16,18H,3-14,17,23H2,1-2H3,(H,25,26)
InChIKeyBQSSTWGCBBPGDP-UHFFFAOYSA-N
XLogP6.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
5-methyl-2-[methyl(pentyl)amino]benzoic acid
CID 62514125
5-amino-2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]benzoic acid
CID 63116577
5-amino-2-[methyl(octanoyl)amino]benzoic acid
CID 63116658
2-[methyl(octyl)amino]benzoic acid
CID 21437831
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
5-amino-2-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]benzoic acid
CID 116616299
5-amino-2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 63116508
4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(tetradecyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[methyl(tetradecyl)amino]benzoic acid (CID 21388724) is 5-amino-2-[methyl(tetradecyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[methyl(tetradecyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[methyl(tetradecyl)amino]benzoic acid is CCCCCCCCCCCCCCN(C)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[methyl(tetradecyl)amino]benzoic acid?
The InChIKey is BQSSTWGCBBPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24(2)21-16-15-19(23)18-20(21)22(25)26/h15-16,18H,3-14,17,23H2,1-2H3,(H,25,26).
What are the key properties of 5-amino-2-[methyl(tetradecyl)amino]benzoic acid?
5-amino-2-[methyl(tetradecyl)amino]benzoic acid has a molecular weight of 362.56 g/mol, XLogP of 6.10, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(tetradecyl)amino]benzoic acid is sourced from PubChem (CID 21388724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).