N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide

C15H16N2O3 — CID 82827346

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H16N2O3/c1-9-12(3-2-4-13(9)18)15(20)17-8-10-7-11(16)5-6-14(10)19/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyZMPAIOLZOWBHCI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.92
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82827346) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
PubChem CID82827346
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H16N2O3/c1-9-12(3-2-4-13(9)18)15(20)17-8-10-7-11(16)5-6-14(10)19/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyZMPAIOLZOWBHCI-UHFFFAOYSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide (CID 82827346) is N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is ZMPAIOLZOWBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-12(3-2-4-13(9)18)15(20)17-8-10-7-11(16)5-6-14(10)19/h2-7,18-19H,8,16H2,1H3,(H,17,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82827346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).