N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide

C15H16N2O3 — CID 60973203

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2O)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-14-7-6-10(8-12(14)16)9-17-15(19)11-4-2-3-5-13(11)18/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyRUZKXJKKQKKVOC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide (PubChem CID 60973203) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
PubChem CID60973203
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2O)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-14-7-6-10(8-12(14)16)9-17-15(19)11-4-2-3-5-13(11)18/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyRUZKXJKKQKKVOC-UHFFFAOYSA-N
XLogP1.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide (CID 60973203) is N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide is COc1ccc(CNC(=O)c2ccccc2O)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide?
The InChIKey is RUZKXJKKQKKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14-7-6-10(8-12(14)16)9-17-15(19)11-4-2-3-5-13(11)18/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 60973203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).