5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide

C22H22N2O3 — CID 59041777

IUPAC5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide
SMILESCc1cc(N)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H22N2O3/c1-14-10-17(23)11-15(2)21(14)27-18-8-9-20(25)19(12-18)22(26)24-13-16-6-4-3-5-7-16/h3-12,25H,13,23H2,1-2H3,(H,24,26)
InChIKeyYTQDTZFMFRTMDM-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.31
Rot. Bonds5

About 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide

5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide (PubChem CID 59041777) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide
PubChem CID59041777
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide
SMILESCc1cc(N)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H22N2O3/c1-14-10-17(23)11-15(2)21(14)27-18-8-9-20(25)19(12-18)22(26)24-13-16-6-4-3-5-7-16/h3-12,25H,13,23H2,1-2H3,(H,24,26)
InChIKeyYTQDTZFMFRTMDM-UHFFFAOYSA-N
XLogP4.31
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.31
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-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-methylsulfanylformamide
CID 144504914
N-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-(2-hydroxyethyl)formamide
CID 144504953
cyclohexa-1,3-dien-1-ylmethyl N-[4-[3-(benzylcarbamoyl)-4-hydroxyphenoxy]-3,5-dimethylphenyl]carbamate
CID 142113617
N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
CID 123373893
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
[1-[3,5-dibromo-4-[3-[(3-carboxyphenyl)methylcarbamoyl]-4-hydroxyphenoxy]phenyl]-1-hydroxyethyl]-oxophosphanium
CID 154222109
2-[4-[4-hydroxy-3-(2-methylpropylcarbamoyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid
CID 18614253
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
5-[2,6-dimethyl-4-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide
CID 144504692
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide?
The IUPAC name of 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide (CID 59041777) is 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide.
What is the SMILES notation for 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide?
The canonical SMILES for 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide is Cc1cc(N)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide?
The InChIKey is YTQDTZFMFRTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-10-17(23)11-15(2)21(14)27-18-8-9-20(25)19(12-18)22(26)24-13-16-6-4-3-5-7-16/h3-12,25H,13,23H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide?
5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide is sourced from PubChem (CID 59041777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).