3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide

C21H28N2O2 — CID 142869631

IUPAC3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
SMILESCCCCCCCc1ccc(NC(=O)c2cc(C)cc(N)c2O)cc1
InChIInChI=1S/C21H28N2O2/c1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-21(25)18-13-15(2)14-19(22)20(18)24/h9-14,24H,3-8,22H2,1-2H3,(H,23,25)
InChIKeyWASOYIUWLCJHBZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.05
Rot. Bonds8

About 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide

3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide (PubChem CID 142869631) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
PubChem CID142869631
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
SMILESCCCCCCCc1ccc(NC(=O)c2cc(C)cc(N)c2O)cc1
InChIInChI=1S/C21H28N2O2/c1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-21(25)18-13-15(2)14-19(22)20(18)24/h9-14,24H,3-8,22H2,1-2H3,(H,23,25)
InChIKeyWASOYIUWLCJHBZ-UHFFFAOYSA-N
XLogP5.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.05
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'}

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Related Compounds

2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
N'-(4-dodecylphenyl)oxamide
CID 118096540
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-heptylphenyl)heptanamide
CID 101077737
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide (CID 142869631) is 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide is CCCCCCCc1ccc(NC(=O)c2cc(C)cc(N)c2O)cc1.
What is the InChIKey of 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is WASOYIUWLCJHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-21(25)18-13-15(2)14-19(22)20(18)24/h9-14,24H,3-8,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide?
3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 340.47 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 142869631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).