4-(10-phenyldecylamino)benzoic acid

C23H31NO2 — CID 13079660

IUPAC4-(10-phenyldecylamino)benzoic acid
SMILESO=C(O)c1ccc(NCCCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c25-23(26)21-15-17-22(18-16-21)24-19-11-6-4-2-1-3-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-18,24H,1-6,8,11-12,19H2,(H,25,26)
InChIKeyGXIFBRAFSGFCRS-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.16
Rot. Bonds13

About 4-(10-phenyldecylamino)benzoic acid

4-(10-phenyldecylamino)benzoic acid (PubChem CID 13079660) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(10-phenyldecylamino)benzoic acid.

Molecular Properties

Compound Name4-(10-phenyldecylamino)benzoic acid
PubChem CID13079660
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-(10-phenyldecylamino)benzoic acid
SMILESO=C(O)c1ccc(NCCCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c25-23(26)21-15-17-22(18-16-21)24-19-11-6-4-2-1-3-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-18,24H,1-6,8,11-12,19H2,(H,25,26)
InChIKeyGXIFBRAFSGFCRS-UHFFFAOYSA-N
XLogP6.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.16
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

4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
4-[(4-phenylbutylamino)methyl]benzoic acid
CID 90095310
4-(9,9,9-trifluorononylamino)benzoic acid
CID 20549402
4-(13,13,13-trifluorotridecylamino)benzoic acid
CID 20549414
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-(12-methyltridecylamino)benzoic acid
CID 21057297
4-[3-(methylamino)propylamino]benzoic acid
CID 62232372
4-(4-methoxybutylamino)benzoic acid
CID 62232205
8-phenyloctylcarbamic acid
CID 90271205
3,5-difluoro-4-(3-phenylpropylamino)benzoic acid
CID 63187020
methyl 4-(2-phenylethylamino)benzoate
CID 43217242

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenyldecylamino)benzoic acid?
The IUPAC name of 4-(10-phenyldecylamino)benzoic acid (CID 13079660) is 4-(10-phenyldecylamino)benzoic acid.
What is the SMILES notation for 4-(10-phenyldecylamino)benzoic acid?
The canonical SMILES for 4-(10-phenyldecylamino)benzoic acid is O=C(O)c1ccc(NCCCCCCCCCCc2ccccc2)cc1.
What is the InChIKey of 4-(10-phenyldecylamino)benzoic acid?
The InChIKey is GXIFBRAFSGFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c25-23(26)21-15-17-22(18-16-21)24-19-11-6-4-2-1-3-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-18,24H,1-6,8,11-12,19H2,(H,25,26).
What are the key properties of 4-(10-phenyldecylamino)benzoic acid?
4-(10-phenyldecylamino)benzoic acid has a molecular weight of 353.51 g/mol, XLogP of 6.16, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenyldecylamino)benzoic acid is sourced from PubChem (CID 13079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).