3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid

C20H23NO5 — CID 108753903

IUPAC3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1
InChIInChI=1S/C20H23NO5/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)19(23)21-17-13-15(20(24)25)8-11-18(17)22/h6-11,13,22H,2-5,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyRQWPOHULASUTTM-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.30
Rot. Bonds9

About 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid

3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 108753903) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID108753903
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1
InChIInChI=1S/C20H23NO5/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)19(23)21-17-13-15(20(24)25)8-11-18(17)22/h6-11,13,22H,2-5,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyRQWPOHULASUTTM-UHFFFAOYSA-N
XLogP4.30
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-hexoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764248
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753995
4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide
CID 139639432
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
CID 15106554
3-[4-(4-tert-butylphenoxy)butanoylamino]-4-hydroxybenzoic acid
CID 108753977
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
ethane;4-octoxybenzoic acid
CID 144740890
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
4-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]benzoic acid
CID 108753974
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid (CID 108753903) is 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid is CCCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1.
What is the InChIKey of 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is RQWPOHULASUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)19(23)21-17-13-15(20(24)25)8-11-18(17)22/h6-11,13,22H,2-5,12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid?
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid has a molecular weight of 357.41 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 108753903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).