tetradecyl 4-aminobenzoate

C21H35NO2 — CID 66970570

IUPACtetradecyl 4-aminobenzoate
SMILESCCCCCCCCCCCCCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18,22H2,1H3
InChIKeyXHRWBXFEFOILPL-UHFFFAOYSA-N
MW333.52 g/mol
LogP6.13
Rot. Bonds14

About tetradecyl 4-aminobenzoate

tetradecyl 4-aminobenzoate (PubChem CID 66970570) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is tetradecyl 4-aminobenzoate.

Molecular Properties

Compound Nametetradecyl 4-aminobenzoate
PubChem CID66970570
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Nametetradecyl 4-aminobenzoate
SMILESCCCCCCCCCCCCCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18,22H2,1H3
InChIKeyXHRWBXFEFOILPL-UHFFFAOYSA-N
XLogP6.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
azane;butyl 4-aminobenzoate
CID 175088613
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
hexadecyl 4-(4-hexadecoxycarbonylphenyl)benzoate
CID 3498087
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
triacontyl 4-methylbenzoate
CID 151561667
octadecyl 4-bromobenzoate
CID 543643
butane;docosyl 4-hydroxybenzoate
CID 175271638
dodecyl 4-[2-[4-[4-[2-(4-dodecoxycarbonylphenyl)-2-oxoacetyl]benzoyl]oxycarbonylphenyl]-2-oxoacetyl]benzoate
CID 57191655
hexadecyl 4-iodobenzoate
CID 68623259
hexyl benzoate
CID 23235

Frequently Asked Questions

What is the IUPAC name of tetradecyl 4-aminobenzoate?
The IUPAC name of tetradecyl 4-aminobenzoate (CID 66970570) is tetradecyl 4-aminobenzoate.
What is the SMILES notation for tetradecyl 4-aminobenzoate?
The canonical SMILES for tetradecyl 4-aminobenzoate is CCCCCCCCCCCCCCOC(=O)c1ccc(N)cc1.
What is the InChIKey of tetradecyl 4-aminobenzoate?
The InChIKey is XHRWBXFEFOILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18,22H2,1H3.
What are the key properties of tetradecyl 4-aminobenzoate?
tetradecyl 4-aminobenzoate has a molecular weight of 333.52 g/mol, XLogP of 6.13, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 4-aminobenzoate is sourced from PubChem (CID 66970570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).