3-amino-N-(2-hydroxy-4-propylphenyl)benzamide

C16H18N2O2 — CID 20667031

IUPAC3-amino-N-(2-hydroxy-4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(N)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-2-4-11-7-8-14(15(19)9-11)18-16(20)12-5-3-6-13(17)10-12/h3,5-10,19H,2,4,17H2,1H3,(H,18,20)
InChIKeyMWNHACIFBAHCFS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.18
Rot. Bonds4

About 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide

3-amino-N-(2-hydroxy-4-propylphenyl)benzamide (PubChem CID 20667031) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-4-propylphenyl)benzamide
PubChem CID20667031
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(2-hydroxy-4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(N)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-2-4-11-7-8-14(15(19)9-11)18-16(20)12-5-3-6-13(17)10-12/h3,5-10,19H,2,4,17H2,1H3,(H,18,20)
InChIKeyMWNHACIFBAHCFS-UHFFFAOYSA-N
XLogP3.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride
CID 5220396
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide (CID 20667031) is 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cccc(N)c2)c(O)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide?
The InChIKey is MWNHACIFBAHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-4-11-7-8-14(15(19)9-11)18-16(20)12-5-3-6-13(17)10-12/h3,5-10,19H,2,4,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide?
3-amino-N-(2-hydroxy-4-propylphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-4-propylphenyl)benzamide is sourced from PubChem (CID 20667031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).