2-hydroxy-4-(undec-2-enoylamino)benzoic acid

C18H25NO4 — CID 75231522

IUPAC2-hydroxy-4-(undec-2-enoylamino)benzoic acid
SMILESCCCCCCCCC=CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-9-10-17(21)19-14-11-12-15(18(22)23)16(20)13-14/h9-13,20H,2-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyDXLYCBXVWRXOJU-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.34
Rot. Bonds10

About 2-hydroxy-4-(undec-2-enoylamino)benzoic acid

2-hydroxy-4-(undec-2-enoylamino)benzoic acid (PubChem CID 75231522) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-hydroxy-4-(undec-2-enoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(undec-2-enoylamino)benzoic acid
PubChem CID75231522
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-hydroxy-4-(undec-2-enoylamino)benzoic acid
SMILESCCCCCCCCC=CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-9-10-17(21)19-14-11-12-15(18(22)23)16(20)13-14/h9-13,20H,2-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyDXLYCBXVWRXOJU-UHFFFAOYSA-N
XLogP4.34
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyldec-2-enamide
CID 72974313
4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363
N-(4-octylphenyl)undec-2-enamide
CID 167433429
N-(4-tetradecylphenyl)undec-2-enamide
CID 167433428
(E)-N-(4-iodophenyl)oct-2-enamide
CID 2172848
4-(1-carboxyoctoxycarbonylamino)-2-hydroxybenzoic acid
CID 139679987
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
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
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(undec-2-enoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(undec-2-enoylamino)benzoic acid (CID 75231522) is 2-hydroxy-4-(undec-2-enoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(undec-2-enoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(undec-2-enoylamino)benzoic acid is CCCCCCCCC=CC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(undec-2-enoylamino)benzoic acid?
The InChIKey is DXLYCBXVWRXOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-9-10-17(21)19-14-11-12-15(18(22)23)16(20)13-14/h9-13,20H,2-8H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-hydroxy-4-(undec-2-enoylamino)benzoic acid?
2-hydroxy-4-(undec-2-enoylamino)benzoic acid has a molecular weight of 319.40 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(undec-2-enoylamino)benzoic acid is sourced from PubChem (CID 75231522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).