4-(N-tetradecoxyanilino)benzamide

C27H40N2O2 — CID 174322917

IUPAC4-(N-tetradecoxyanilino)benzamide
SMILESCCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C27H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-31-29(25-17-14-13-15-18-25)26-21-19-24(20-22-26)27(28)30/h13-15,17-22H,2-12,16,23H2,1H3,(H2,28,30)
InChIKeyAGFQKTNGGKCXIS-UHFFFAOYSA-N
MW424.63 g/mol
LogP7.56
Rot. Bonds17

About 4-(N-tetradecoxyanilino)benzamide

4-(N-tetradecoxyanilino)benzamide (PubChem CID 174322917) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-(N-tetradecoxyanilino)benzamide.

Molecular Properties

Compound Name4-(N-tetradecoxyanilino)benzamide
PubChem CID174322917
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name4-(N-tetradecoxyanilino)benzamide
SMILESCCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C27H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-31-29(25-17-14-13-15-18-25)26-21-19-24(20-22-26)27(28)30/h13-15,17-22H,2-12,16,23H2,1H3,(H2,28,30)
InChIKeyAGFQKTNGGKCXIS-UHFFFAOYSA-N
XLogP7.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(N-tetradecoxyanilino)benzamide 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

4-(N-tetradecoxyanilino)benzaldehyde
CID 174322421
hexyl benzoate
CID 23235
butyl benzoate;hexyl benzoate
CID 22163024
CID 172820816
CID 172820816
CID 162308343
CID 162308343
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
octyl N-amino-N-phenylcarbamate
CID 174873425
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
potassium;hexadecyl benzoate;hydride
CID 174392583
2-(N-octoxyanilino)acetic acid
CID 54571565
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230

Frequently Asked Questions

What is the IUPAC name of 4-(N-tetradecoxyanilino)benzamide?
The IUPAC name of 4-(N-tetradecoxyanilino)benzamide (CID 174322917) is 4-(N-tetradecoxyanilino)benzamide.
What is the SMILES notation for 4-(N-tetradecoxyanilino)benzamide?
The canonical SMILES for 4-(N-tetradecoxyanilino)benzamide is CCCCCCCCCCCCCCON(c1ccccc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(N-tetradecoxyanilino)benzamide?
The InChIKey is AGFQKTNGGKCXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-31-29(25-17-14-13-15-18-25)26-21-19-24(20-22-26)27(28)30/h13-15,17-22H,2-12,16,23H2,1H3,(H2,28,30).
What are the key properties of 4-(N-tetradecoxyanilino)benzamide?
4-(N-tetradecoxyanilino)benzamide has a molecular weight of 424.63 g/mol, XLogP of 7.56, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-tetradecoxyanilino)benzamide is sourced from PubChem (CID 174322917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).