4-amino-N-dodecyl-3-hydroxybenzamide

C19H32N2O2 — CID 22411110

IUPAC4-amino-N-dodecyl-3-hydroxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-19(23)16-12-13-17(20)18(22)15-16/h12-13,15,22H,2-11,14,20H2,1H3,(H,21,23)
InChIKeyGXRTVQVWCQMNGH-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.63
Rot. Bonds12

About 4-amino-N-dodecyl-3-hydroxybenzamide

4-amino-N-dodecyl-3-hydroxybenzamide (PubChem CID 22411110) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-amino-N-dodecyl-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-dodecyl-3-hydroxybenzamide
PubChem CID22411110
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name4-amino-N-dodecyl-3-hydroxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-19(23)16-12-13-17(20)18(22)15-16/h12-13,15,22H,2-11,14,20H2,1H3,(H,21,23)
InChIKeyGXRTVQVWCQMNGH-UHFFFAOYSA-N
XLogP4.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-dodecyl-3-hydroxybenzamide 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

3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3-methyl-N-octylbenzamide
CID 115565914
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296
N-decyl-4-hydroxybenzamide
CID 15277871
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-dodecyl-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-dodecyl-3-hydroxybenzamide (CID 22411110) is 4-amino-N-dodecyl-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-dodecyl-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-dodecyl-3-hydroxybenzamide is CCCCCCCCCCCCNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-dodecyl-3-hydroxybenzamide?
The InChIKey is GXRTVQVWCQMNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-19(23)16-12-13-17(20)18(22)15-16/h12-13,15,22H,2-11,14,20H2,1H3,(H,21,23).
What are the key properties of 4-amino-N-dodecyl-3-hydroxybenzamide?
4-amino-N-dodecyl-3-hydroxybenzamide has a molecular weight of 320.48 g/mol, XLogP of 4.63, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-dodecyl-3-hydroxybenzamide is sourced from PubChem (CID 22411110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).