4-(dodecylamino)-2-hydroxybenzoic acid

C19H31NO3 — CID 150878020

IUPAC4-(dodecylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCCCNc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-20-16-12-13-17(19(22)23)18(21)15-16/h12-13,15,20-21H,2-11,14H2,1H3,(H,22,23)
InChIKeyKVKJTRUOTJUULY-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.42
Rot. Bonds13

About 4-(dodecylamino)-2-hydroxybenzoic acid

4-(dodecylamino)-2-hydroxybenzoic acid (PubChem CID 150878020) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-(dodecylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(dodecylamino)-2-hydroxybenzoic acid
PubChem CID150878020
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name4-(dodecylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCCCNc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-20-16-12-13-17(19(22)23)18(21)15-16/h12-13,15,20-21H,2-11,14H2,1H3,(H,22,23)
InChIKeyKVKJTRUOTJUULY-UHFFFAOYSA-N
XLogP5.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
CID 70563593
CID 70563593
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363
2-hydroxy-5-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]benzoic acid
CID 70437869
2-hydroxy-5-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]benzoic acid
CID 70436521
disodium;4-(dodecylamino)phthalate
CID 70562640
2-hydroxy-4-(undec-2-enoylamino)benzoic acid
CID 75231522
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025

Frequently Asked Questions

What is the IUPAC name of 4-(dodecylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(dodecylamino)-2-hydroxybenzoic acid (CID 150878020) is 4-(dodecylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(dodecylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(dodecylamino)-2-hydroxybenzoic acid is CCCCCCCCCCCCNc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(dodecylamino)-2-hydroxybenzoic acid?
The InChIKey is KVKJTRUOTJUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-20-16-12-13-17(19(22)23)18(21)15-16/h12-13,15,20-21H,2-11,14H2,1H3,(H,22,23).
What are the key properties of 4-(dodecylamino)-2-hydroxybenzoic acid?
4-(dodecylamino)-2-hydroxybenzoic acid has a molecular weight of 321.46 g/mol, XLogP of 5.42, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 150878020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).